============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. HIS 12 0.900 14.661 21.609 101.988 -99.200 -91.000 HIS 16 0.900 25.633 13.223 106.264 -99.200 -91.000 PHE 19 1.000 36.557 11.840 107.152 -99.200 -91.000 PHE 41 1.000 17.006 9.532 103.087 -99.200 -91.000 PHE 67 1.000 21.837 -4.819 106.832 -99.200 -91.000 PHE 69 1.000 16.875 -1.996 108.925 -99.200 -91.000 TYR 70 0.840 9.830 6.012 108.051 -99.200 -91.000 HIS 73 0.900 10.489 11.091 115.187 -99.200 -91.000 HIS 75 0.900 7.015 1.801 113.757 -99.200 -91.000 TYR 77 0.840 9.865 9.885 121.050 -99.200 -91.000 TRP 81 1.040 4.680 11.162 116.906 -99.200 -91.000 TRP6 81 1.020 6.303 12.819 116.620 -99.200 -91.000 PHE 84 1.000 6.167 16.752 120.195 -99.200 -91.000 TYR 102 0.840 33.792 6.744 130.298 -99.200 -91.000 HIS 105 0.900 31.361 4.256 127.065 -99.200 -91.000 PHE 108 1.000 24.538 2.394 121.331 -99.200 -91.000 HIS 122 0.900 14.340 10.960 118.002 -99.200 -91.000 PHE 124 1.000 19.015 2.717 124.096 -99.200 -91.000 TYR 127 0.840 21.990 -0.297 117.490 -99.200 -91.000 TYR 131 0.840 20.978 -7.064 118.179 -99.200 -91.000 TYR 134 0.840 14.131 -6.086 110.064 -99.200 -91.000 PHE 135 1.000 20.806 -6.257 111.504 -99.200 -91.000 TRP 139 1.040 17.492 -19.315 118.507 -99.200 -91.000 TRP6 139 1.020 19.256 -18.988 120.104 -99.200 -91.000 TYR 158 0.840 34.822 -0.537 120.322 -99.200 -91.000 PHE 160 1.000 22.916 -3.396 121.323 -99.200 -91.000 HIS 164 0.900 30.706 -16.335 113.705 -99.200 -91.000 TRP 169 1.040 30.503 -24.125 113.903 -99.200 -91.000 TRP6 169 1.020 30.823 -22.076 115.078 -99.200 -91.000 TYR 199 0.840 1.485 -38.374 114.486 -99.200 -91.000 HIS 203 0.900 2.041 -28.936 110.144 -99.200 -91.000 TYR 210 0.840 11.366 -27.309 113.259 -99.200 -91.000 PHE 211 1.000 9.160 -23.962 109.015 -99.200 -91.000 TYR 215 0.840 0.550 -10.913 114.668 -99.200 -91.000 PHE 222 1.000 -3.511 -18.676 109.936 -99.200 -91.000 TYR 228 0.840 6.073 0.781 108.046 -99.200 -91.000 TRP 243 1.040 31.687 -11.429 98.927 -99.200 -91.000 TRP6 243 1.020 32.114 -12.644 100.893 -99.200 -91.000 TYR 247 0.840 47.669 -2.246 97.365 -99.200 -91.000 PHE 260 1.000 54.994 -11.173 99.754 -99.200 -91.000 TYR 268 0.840 31.015 1.815 101.221 -99.200 -91.000 HIS 270 0.900 23.081 1.712 101.377 -99.200 -91.000 PHE 275 1.000 10.843 5.564 102.891 -99.200 -91.000 PHE 276 1.000 4.688 10.081 101.218 -99.200 -91.000 HIS 280 0.900 6.560 15.089 111.612 -99.200 -91.000 PHE 284 1.000 18.083 4.941 113.834 -99.200 -91.000 PHE 291 1.000 37.665 -11.112 108.048 -99.200 -91.000 TYR 301 0.840 27.632 -35.982 113.116 -99.200 -91.000 TYR 310 0.840 21.003 -48.432 106.155 -99.200 -91.000 TYR 320 0.840 19.989 -39.128 106.309 -99.200 -91.000 PHE 334 1.000 34.148 -26.111 116.032 -99.200 -91.000 PHE 343 1.000 26.007 -28.186 117.486 -99.200 -91.000 TRP 350 1.040 25.382 -36.890 108.325 -99.200 -91.000 TRP6 350 1.020 23.824 -36.764 110.021 -99.200 -91.000 TYR 351 0.840 25.713 -38.432 103.442 -99.200 -91.000 TYR 353 0.840 28.634 -27.240 107.032 -99.200 -91.000 TYR 357 0.840 42.264 -29.710 105.892 -99.200 -91.000 TYR 362 0.840 47.064 -22.342 106.265 -99.200 -91.000 HIS 363 0.900 45.582 -24.325 116.846 -99.200 -91.000 PHE 368 1.000 46.873 -17.339 107.052 -99.200 -91.000 PHE 370 1.000 42.094 -19.305 108.505 -99.200 -91.000 HIS 387 0.900 35.341 -6.737 119.828 -99.200 -91.000 HIS 388 0.900 38.301 -8.631 122.452 -99.200 -91.000 TYR 390 0.840 36.902 -12.535 113.350 -99.200 -91.000 PHE 394 1.000 41.829 -7.176 111.453 -99.200 -91.000 TRP 402 1.040 34.486 -2.130 110.361 -99.200 -91.000 TRP6 402 1.020 33.302 -0.184 109.769 -99.200 -91.000 PHE 408 1.000 27.008 8.559 105.108 -99.200 -91.000 TYR 413 0.840 13.741 16.036 95.512 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bpa11 SER 1 HA 0.00 -0.10 0.20 -0.75 4.49 3.84 2bpa11 SER 1 HB2 -0.00 -0.02 -0.10 -0.04 3.95 3.79 2bpa11 SER 1 HB3 0.00 0.06 0.02 -0.04 3.93 3.97 2bpa11 ASN 2 H 0.00 0.13 0.13 -0.55 8.53 8.25 2bpa11 ASN 2 HA 0.00 0.11 0.75 -0.75 4.76 4.86 2bpa11 ASN 2 HB2 0.00 -0.01 0.07 -0.04 2.88 2.90 2bpa11 ASN 2 HB3 0.00 -0.02 0.09 -0.04 2.79 2.82 2bpa11 ASN 2 HD21 0.00 -0.02 0.04 -0.04 7.03 7.00 2bpa11 ASN 2 HD22 0.00 -0.04 0.02 -0.04 7.74 7.68 2bpa11 ILE 3 H 0.00 0.15 0.16 -0.55 8.25 8.01 2bpa11 ILE 3 HA 0.00 0.19 0.76 -0.75 4.18 4.38 2bpa11 ILE 3 HB 0.00 0.03 -0.00 -0.04 1.89 1.89 2bpa11 ILE 3 HG12 0.00 0.05 -0.05 -0.04 1.49 1.45 2bpa11 ILE 3 HG13 0.00 -0.05 0.06 -0.04 1.21 1.18 2bpa11 ILE 3 HG23 0.00 0.02 -0.26 -0.04 0.93 0.65 2bpa11 ILE 3 HD13 0.00 -0.01 -0.18 -0.04 0.88 0.65 2bpa11 GLN 4 H 0.01 0.25 0.10 -0.55 8.47 8.28 2bpa11 GLN 4 HA 0.01 0.02 0.48 -0.75 4.36 4.12 2bpa11 GLN 4 HB2 0.01 0.06 0.18 -0.04 2.15 2.36 2bpa11 GLN 4 HB3 0.01 0.05 0.28 -0.04 2.02 2.32 2bpa11 GLN 4 HG2 0.01 -0.04 0.07 -0.04 2.40 2.40 2bpa11 GLN 4 HG3 0.01 0.03 0.07 -0.04 2.39 2.46 2bpa11 GLN 4 HE21 0.03 0.04 0.14 -0.04 6.97 7.14 2bpa11 GLN 4 HE22 0.02 -0.10 0.04 -0.04 7.69 7.61 2bpa11 THR 5 H 0.01 0.33 0.19 -0.55 8.28 8.27 2bpa11 THR 5 HA 0.01 0.10 0.38 -0.75 4.39 4.12 2bpa11 THR 5 HB 0.01 -0.01 0.06 -0.04 4.32 4.35 2bpa11 THR 5 HG23 0.01 0.04 0.04 -0.04 1.22 1.26 2bpa11 GLY 6 H 0.02 0.01 -0.18 -0.55 8.43 7.72 2bpa11 GLY 6 HA2 0.02 0.34 1.03 -0.51 4.01 4.89 2bpa11 GLY 6 HA3 0.02 -0.03 0.29 -0.51 4.01 3.78 2bpa11 ALA 7 H 0.03 0.35 0.15 -0.55 8.40 8.38 2bpa11 ALA 7 HA 0.04 0.03 0.42 -0.75 4.34 4.07 2bpa11 ALA 7 HB3 0.05 0.09 -0.44 -0.04 1.41 1.07 2bpa11 GLU 8 H 0.05 0.16 0.05 -0.55 8.60 8.31 2bpa11 GLU 8 HA 0.04 0.30 1.25 -0.75 4.29 5.12 2bpa11 GLU 8 HB2 0.04 0.08 0.04 -0.04 2.09 2.21 2bpa11 GLU 8 HB3 0.03 -0.02 -0.02 -0.04 1.99 1.95 2bpa11 GLU 8 HG2 0.03 -0.09 0.07 -0.04 2.34 2.31 2bpa11 GLU 8 HG3 0.04 0.06 -0.02 -0.04 2.34 2.37 2bpa11 ARG 9 H 0.06 0.11 0.06 -0.55 8.46 8.14 2bpa11 ARG 9 HA 0.11 0.20 0.45 -0.75 4.34 4.34 2bpa11 ARG 9 HB2 0.08 0.00 -0.17 -0.04 1.90 1.78 2bpa11 ARG 9 HB3 0.07 -0.06 0.09 -0.04 1.80 1.85 2bpa11 ARG 9 HG2 0.10 -0.07 -0.24 -0.04 1.67 1.42 2bpa11 ARG 9 HG3 0.18 0.09 -0.65 -0.04 1.67 1.25 2bpa11 ARG 9 HD2 0.05 -0.05 -0.07 -0.04 3.22 3.11 2bpa11 ARG 9 HD3 0.14 -0.01 -0.12 -0.04 3.22 3.19 2bpa11 MET 10 H 0.21 0.59 0.42 -0.55 8.47 9.15 2bpa11 MET 10 HA 0.15 0.08 0.69 -0.75 4.52 4.68 2bpa11 MET 10 HB2 0.04 -0.04 0.13 -0.04 2.15 2.25 2bpa11 MET 10 HB3 0.07 0.04 -0.23 -0.04 2.03 1.87 2bpa11 MET 10 HG2 0.12 0.01 0.09 -0.04 2.63 2.81 2bpa11 MET 10 HG3 -0.11 0.13 -0.16 -0.04 2.56 2.39 2bpa11 MET 10 HE3 -0.04 -0.01 -0.00 -0.04 2.10 2.01 2bpa11 PRO 11 HA -0.29 0.11 0.57 -0.51 4.44 4.33 2bpa11 PRO 11 HB2 -0.24 0.01 -0.03 -0.04 2.28 1.97 2bpa11 PRO 11 HB3 -0.42 0.01 0.05 -0.04 2.02 1.61 2bpa11 PRO 11 HG2 -0.03 0.01 0.14 -0.04 2.03 2.11 2bpa11 PRO 11 HG3 0.07 0.03 0.08 -0.04 2.03 2.16 2bpa11 PRO 11 HD2 0.06 0.09 0.25 -0.04 3.68 4.04 2bpa11 PRO 11 HD3 0.21 0.14 0.18 -0.04 3.65 4.13 2bpa11 HIS 12 H -0.00 0.78 0.48 -0.55 8.41 9.13 2bpa11 HIS 12 HA -0.05 0.09 0.82 -0.75 4.63 4.74 2bpa11 HIS 12 HB2 -0.05 -0.01 0.28 -0.04 3.26 3.44 2bpa11 HIS 12 HB3 -0.02 0.01 0.03 -0.04 3.20 3.17 2bpa11 HIS 12 HD2 0.00 -0.00 -0.01 -0.04 6.97 6.92 2bpa11 HIS 12 HE1 0.02 0.04 -0.01 -0.04 7.75 7.76 2bpa11 ASP 13 H -0.04 0.19 0.14 -0.55 8.40 8.14 2bpa11 ASP 13 HA -0.04 0.19 0.94 -0.75 4.63 4.96 2bpa11 ASP 13 HB2 -0.05 0.01 0.08 -0.04 2.71 2.71 2bpa11 ASP 13 HB3 -0.03 0.01 0.25 -0.04 2.70 2.89 2bpa11 LEU 14 H 0.00 0.52 0.26 -0.55 8.37 8.60 2bpa11 LEU 14 HA 0.07 0.18 0.80 -0.75 4.35 4.64 2bpa11 LEU 14 HB2 0.05 -0.01 0.01 -0.04 1.64 1.65 2bpa11 LEU 14 HB3 0.07 0.02 0.16 -0.04 1.64 1.86 2bpa11 LEU 14 HG 0.07 -0.12 -0.41 -0.04 1.64 1.14 2bpa11 LEU 14 HD13 0.05 -0.00 -0.05 -0.04 0.93 0.88 2bpa11 LEU 14 HD23 0.05 0.02 -0.02 -0.04 0.89 0.91 2bpa11 SER 15 H 0.05 0.01 -0.30 -0.55 8.46 7.67 2bpa11 SER 15 HA 0.08 0.18 0.62 -0.75 4.49 4.62 2bpa11 SER 15 HB2 0.03 -0.02 0.09 -0.04 3.95 4.01 2bpa11 SER 15 HB3 0.02 0.03 0.02 -0.04 3.93 3.96 2bpa11 HIS 16 H -0.14 0.46 0.36 -0.55 8.41 8.54 2bpa11 HIS 16 HA 0.07 0.01 0.55 -0.75 4.63 4.51 2bpa11 HIS 16 HB2 0.10 0.03 0.14 -0.04 3.26 3.49 2bpa11 HIS 16 HB3 0.06 0.13 0.02 -0.04 3.20 3.37 2bpa11 HIS 16 HD2 0.15 0.20 -0.17 -0.04 6.97 7.10 2bpa11 HIS 16 HE1 -0.12 -0.06 -0.08 -0.04 7.75 7.45 2bpa11 LEU 17 H 0.18 0.10 0.20 -0.55 8.37 8.31 2bpa11 LEU 17 HA -0.07 0.16 0.93 -0.75 4.35 4.62 2bpa11 LEU 17 HB2 0.19 -0.01 0.10 -0.04 1.64 1.88 2bpa11 LEU 17 HB3 -0.13 0.07 0.16 -0.04 1.64 1.71 2bpa11 LEU 17 HG 0.09 -0.05 0.05 -0.04 1.64 1.68 2bpa11 LEU 17 HD13 0.15 0.00 0.01 -0.04 0.93 1.05 2bpa11 LEU 17 HD23 -0.04 0.00 -0.07 -0.04 0.89 0.74 2bpa11 GLY 18 H -0.21 0.68 0.35 -0.55 8.43 8.70 2bpa11 GLY 18 HA2 0.26 0.16 0.76 -0.51 4.01 4.68 2bpa11 GLY 18 HA3 0.33 0.02 0.29 -0.51 4.01 4.14 2bpa11 PHE 19 H 0.26 0.27 0.06 -0.55 8.34 8.38 2bpa11 PHE 19 HA 0.06 0.18 0.93 -0.75 4.62 5.03 2bpa11 PHE 19 HB2 0.04 -0.02 0.18 -0.04 3.15 3.31 2bpa11 PHE 19 HB3 0.03 0.03 0.11 -0.04 3.06 3.19 2bpa11 PHE 19 HD2 0.04 0.03 -0.03 -0.04 7.28 7.27 2bpa11 PHE 19 HE2 0.02 -0.02 -0.02 -0.04 7.38 7.32 2bpa11 PHE 19 HZ 0.01 -0.02 -0.02 -0.04 7.32 7.25 2bpa11 LEU 20 H 0.12 0.64 0.26 -0.55 8.37 8.84 2bpa11 LEU 20 HA 0.05 0.20 0.88 -0.75 4.35 4.72 2bpa11 LEU 20 HB2 0.31 -0.09 -0.02 -0.04 1.64 1.80 2bpa11 LEU 20 HB3 0.22 0.06 0.01 -0.04 1.64 1.89 2bpa11 LEU 20 HG 0.16 -0.03 -0.35 -0.04 1.64 1.38 2bpa11 LEU 20 HD13 0.31 -0.01 -0.18 -0.04 0.93 1.01 2bpa11 LEU 20 HD23 0.25 0.05 -0.13 -0.04 0.89 1.02 2bpa11 ALA 21 H -0.27 0.31 0.18 -0.55 8.40 8.08 2bpa11 ALA 21 HA -0.81 0.29 0.76 -0.75 4.34 3.82 2bpa11 ALA 21 HB3 -0.23 0.01 -0.04 -0.04 1.41 1.11 2bpa11 GLY 22 H -1.75 0.51 0.33 -0.55 8.43 6.96 2bpa11 GLY 22 HA2 -0.36 0.15 0.70 -0.51 4.01 3.99 2bpa11 GLY 22 HA3 -0.57 0.12 0.36 -0.51 4.01 3.40 2bpa11 GLN 23 H -0.08 0.28 0.20 -0.55 8.47 8.32 2bpa11 GLN 23 HA -0.22 0.05 0.76 -0.75 4.36 4.19 2bpa11 GLN 23 HB2 -0.22 0.08 0.04 -0.04 2.15 2.01 2bpa11 GLN 23 HB3 -0.33 -0.15 0.16 -0.04 2.02 1.67 2bpa11 GLN 23 HG2 -0.75 0.04 -0.06 -0.04 2.40 1.59 2bpa11 GLN 23 HG3 -1.19 -0.00 -0.00 -0.04 2.39 1.16 2bpa11 GLN 23 HE21 -0.60 0.02 -0.05 -0.04 6.97 6.31 2bpa11 GLN 23 HE22 -2.07 0.02 -0.06 -0.04 7.69 5.54 2bpa11 ILE 24 H 0.13 0.03 0.16 -0.55 8.25 8.01 2bpa11 ILE 24 HA 0.13 0.19 0.29 -0.75 4.18 4.03 2bpa11 ILE 24 HB 0.15 -0.13 0.17 -0.04 1.89 2.04 2bpa11 ILE 24 HG12 0.18 -0.09 -0.04 -0.04 1.49 1.50 2bpa11 ILE 24 HG13 0.17 0.03 -0.02 -0.04 1.21 1.35 2bpa11 ILE 24 HG23 -0.34 0.03 -0.14 -0.04 0.93 0.44 2bpa11 ILE 24 HD13 -0.08 0.02 -0.15 -0.04 0.88 0.63 2bpa11 GLY 25 H 0.15 -0.08 -0.04 -0.55 8.43 7.92 2bpa11 GLY 25 HA2 0.03 0.36 0.81 -0.51 4.01 4.71 2bpa11 GLY 25 HA3 0.07 -0.08 0.28 -0.51 4.01 3.78 2bpa11 ARG 26 H 0.13 0.11 -0.47 -0.55 8.46 7.67 2bpa11 ARG 26 HA 0.13 0.37 0.82 -0.75 4.34 4.91 2bpa11 ARG 26 HB2 0.11 -0.05 -0.13 -0.04 1.90 1.80 2bpa11 ARG 26 HB3 0.14 0.16 -0.57 -0.04 1.80 1.49 2bpa11 ARG 26 HG2 0.14 0.04 -0.41 -0.04 1.67 1.40 2bpa11 ARG 26 HG3 0.11 -0.30 -0.27 -0.04 1.67 1.16 2bpa11 ARG 26 HD2 0.04 -0.23 -0.08 -0.04 3.22 2.91 2bpa11 ARG 26 HD3 -0.03 -0.01 -0.11 -0.04 3.22 3.03 2bpa11 LEU 27 H 0.11 0.53 0.16 -0.55 8.37 8.63 2bpa11 LEU 27 HA 0.02 0.18 0.61 -0.75 4.35 4.41 2bpa11 LEU 27 HB2 -0.22 0.03 0.02 -0.04 1.64 1.43 2bpa11 LEU 27 HB3 -0.03 -0.12 0.16 -0.04 1.64 1.61 2bpa11 LEU 27 HG -0.15 -0.01 -0.31 -0.04 1.64 1.13 2bpa11 LEU 27 HD13 -0.40 0.04 -0.18 -0.04 0.93 0.35 2bpa11 LEU 27 HD23 -1.06 -0.02 -0.13 -0.04 0.89 -0.36 2bpa11 ILE 28 H 0.15 0.49 0.35 -0.55 8.25 8.70 2bpa11 ILE 28 HA 0.15 0.14 0.94 -0.75 4.18 4.66 2bpa11 ILE 28 HB 0.20 0.16 -0.15 -0.04 1.89 2.06 2bpa11 ILE 28 HG12 0.10 0.08 -0.07 -0.04 1.49 1.56 2bpa11 ILE 28 HG13 0.09 -0.08 0.01 -0.04 1.21 1.19 2bpa11 ILE 28 HG23 0.36 -0.00 -0.07 -0.04 0.93 1.18 2bpa11 ILE 28 HD13 0.05 0.04 -0.01 -0.04 0.88 0.93 2bpa11 THR 29 H 0.06 0.47 0.19 -0.55 8.28 8.46 2bpa11 THR 29 HA 0.16 0.03 0.56 -0.75 4.39 4.39 2bpa11 THR 29 HB 0.00 -0.09 -0.45 -0.04 4.32 3.74 2bpa11 THR 29 HG23 0.14 -0.03 -0.18 -0.04 1.22 1.11 2bpa11 ILE 30 H 0.13 0.74 0.51 -0.55 8.25 9.07 2bpa11 ILE 30 HA 0.15 0.18 0.85 -0.75 4.18 4.60 2bpa11 ILE 30 HB 0.33 -0.08 -0.00 -0.04 1.89 2.09 2bpa11 ILE 30 HG12 0.17 0.02 -0.27 -0.04 1.49 1.37 2bpa11 ILE 30 HG13 0.25 0.04 -0.26 -0.04 1.21 1.19 2bpa11 ILE 30 HG23 0.27 0.03 -0.20 -0.04 0.93 1.00 2bpa11 ILE 30 HD13 0.31 -0.03 -0.23 -0.04 0.88 0.89 2bpa11 SER 31 H 0.01 0.40 0.29 -0.55 8.46 8.61 2bpa11 SER 31 HA -0.18 0.17 0.56 -0.75 4.49 4.28 2bpa11 SER 31 HB2 -1.29 0.08 -0.21 -0.04 3.95 2.49 2bpa11 SER 31 HB3 -0.47 -0.09 -0.09 -0.04 3.93 3.23 2bpa11 THR 32 H -0.19 0.34 0.18 -0.55 8.28 8.06 2bpa11 THR 32 HA -0.22 0.36 0.94 -0.75 4.39 4.71 2bpa11 THR 32 HB -0.41 -0.09 -0.04 -0.04 4.32 3.73 2bpa11 THR 32 HG23 -0.61 -0.01 -0.07 -0.04 1.22 0.49 2bpa11 THR 33 H -0.17 0.46 0.22 -0.55 8.28 8.25 2bpa11 THR 33 HA -0.06 0.24 0.90 -0.75 4.39 4.71 2bpa11 THR 33 HB 0.10 -0.07 0.03 -0.04 4.32 4.33 2bpa11 THR 33 HG23 0.17 0.01 -0.24 -0.04 1.22 1.11 2bpa11 PRO 34 HA -0.05 0.07 0.71 -0.51 4.44 4.66 2bpa11 PRO 34 HB2 0.04 0.03 -0.01 -0.04 2.28 2.30 2bpa11 PRO 34 HB3 0.03 -0.02 0.06 -0.04 2.02 2.06 2bpa11 PRO 34 HG2 0.01 0.03 0.09 -0.04 2.03 2.12 2bpa11 PRO 34 HG3 0.01 0.04 0.05 -0.04 2.03 2.08 2bpa11 PRO 34 HD2 -0.02 0.12 0.22 -0.04 3.68 3.96 2bpa11 PRO 34 HD3 -0.06 0.22 0.12 -0.04 3.65 3.89 2bpa11 VAL 35 H -0.04 0.77 0.47 -0.55 8.24 8.90 2bpa11 VAL 35 HA -0.00 0.08 0.68 -0.75 4.13 4.13 2bpa11 VAL 35 HB -0.04 0.02 -0.08 -0.04 2.12 1.97 2bpa11 VAL 35 HG13 -0.04 0.03 -0.22 -0.04 0.97 0.70 2bpa11 VAL 35 HG23 0.01 -0.00 -0.21 -0.04 0.95 0.71 2bpa11 ILE 36 H -0.07 0.17 0.09 -0.55 8.25 7.88 2bpa11 ILE 36 HA -0.38 0.06 0.79 -0.75 4.18 3.90 2bpa11 ILE 36 HB -0.12 -0.02 0.00 -0.04 1.89 1.71 2bpa11 ILE 36 HG12 0.04 0.02 -0.05 -0.04 1.49 1.46 2bpa11 ILE 36 HG13 -0.00 -0.03 -0.28 -0.04 1.21 0.85 2bpa11 ILE 36 HG23 -0.22 0.07 -0.02 -0.04 0.93 0.71 2bpa11 ILE 36 HD13 -0.02 0.01 -0.07 -0.04 0.88 0.76 2bpa11 ALA 37 H -1.01 0.07 0.08 -0.55 8.40 6.99 2bpa11 ALA 37 HA -0.15 0.04 -0.03 -0.75 4.34 3.45 2bpa11 ALA 37 HB3 0.10 -0.01 0.13 -0.04 1.41 1.58 2bpa11 GLY 38 H -0.33 0.66 0.23 -0.55 8.43 8.44 2bpa11 GLY 38 HA2 -0.04 -0.01 0.34 -0.51 4.01 3.80 2bpa11 GLY 38 HA3 0.03 0.04 0.59 -0.51 4.01 4.16 2bpa11 ASP 39 H -0.18 0.41 0.03 -0.55 8.40 8.11 2bpa11 ASP 39 HA 0.03 0.35 1.00 -0.75 4.63 5.25 2bpa11 ASP 39 HB2 0.03 -0.01 -0.06 -0.04 2.71 2.63 2bpa11 ASP 39 HB3 -0.03 -0.06 0.01 -0.04 2.70 2.58 2bpa11 SER 40 H 0.14 0.37 0.27 -0.55 8.46 8.69 2bpa11 SER 40 HA 0.11 0.28 0.92 -0.75 4.49 5.04 2bpa11 SER 40 HB2 0.15 0.05 0.14 -0.04 3.95 4.25 2bpa11 SER 40 HB3 0.21 -0.05 -0.04 -0.04 3.93 4.02 2bpa11 PHE 41 H 0.31 0.85 0.38 -0.55 8.34 9.33 2bpa11 PHE 41 HA 0.09 0.21 1.04 -0.75 4.62 5.21 2bpa11 PHE 41 HB2 0.06 -0.04 -0.15 -0.04 3.15 2.98 2bpa11 PHE 41 HB3 0.18 0.04 0.03 -0.04 3.06 3.27 2bpa11 PHE 41 HD2 0.04 -0.00 -0.30 -0.04 7.28 6.97 2bpa11 PHE 41 HE2 0.01 -0.01 -0.21 -0.04 7.38 7.13 2bpa11 PHE 41 HZ 0.03 -0.01 -0.23 -0.04 7.32 7.06 2bpa11 GLU 42 H -0.46 0.57 0.33 -0.55 8.60 8.49 2bpa11 GLU 42 HA -0.05 0.34 0.68 -0.75 4.29 4.52 2bpa11 GLU 42 HB2 -0.04 0.04 -0.01 -0.04 2.09 2.04 2bpa11 GLU 42 HB3 0.04 -0.05 -0.04 -0.04 1.99 1.91 2bpa11 GLU 42 HG2 0.10 0.02 -0.08 -0.04 2.34 2.34 2bpa11 GLU 42 HG3 -0.05 -0.08 0.01 -0.04 2.34 2.18 2bpa11 MET 43 H -0.10 0.59 0.25 -0.55 8.47 8.66 2bpa11 MET 43 HA -0.16 0.31 0.96 -0.75 4.52 4.88 2bpa11 MET 43 HB2 -0.20 0.00 -0.26 -0.04 2.15 1.65 2bpa11 MET 43 HB3 0.09 -0.07 -0.04 -0.04 2.03 1.97 2bpa11 MET 43 HG2 0.13 -0.04 -0.40 -0.04 2.63 2.28 2bpa11 MET 43 HG3 0.10 0.02 -0.27 -0.04 2.56 2.38 2bpa11 MET 43 HE3 0.43 -0.00 -0.23 -0.04 2.10 2.26 2bpa11 ASP 44 H -0.03 0.79 0.26 -0.55 8.40 8.87 2bpa11 ASP 44 HA -0.03 0.21 1.05 -0.75 4.63 5.10 2bpa11 ASP 44 HB2 -0.04 -0.04 0.16 -0.04 2.71 2.75 2bpa11 ASP 44 HB3 -0.05 0.00 0.00 -0.04 2.70 2.61 2bpa11 ALA 45 H 0.05 0.92 0.25 -0.55 8.40 9.08 2bpa11 ALA 45 HA -0.14 0.17 0.76 -0.75 4.34 4.37 2bpa11 ALA 45 HB3 0.15 -0.03 0.01 -0.04 1.41 1.50 2bpa11 VAL 46 H -0.27 0.62 0.31 -0.55 8.24 8.36 2bpa11 VAL 46 HA -0.30 0.29 1.00 -0.75 4.13 4.36 2bpa11 VAL 46 HB -0.12 0.01 -0.06 -0.04 2.12 1.90 2bpa11 VAL 46 HG13 -0.13 0.01 0.05 -0.04 0.97 0.85 2bpa11 VAL 46 HG23 -0.16 0.02 0.01 -0.04 0.95 0.78 2bpa11 GLY 47 H -0.81 0.45 0.24 -0.55 8.43 7.77 2bpa11 GLY 47 HA2 -0.32 0.11 0.67 -0.51 4.01 3.96 2bpa11 GLY 47 HA3 -0.49 0.05 0.55 -0.51 4.01 3.61 2bpa11 ALA 48 H -0.16 0.52 0.37 -0.55 8.40 8.59 2bpa11 ALA 48 HA -0.02 0.32 1.11 -0.75 4.34 4.99 2bpa11 ALA 48 HB3 -0.00 -0.02 0.01 -0.04 1.41 1.36 2bpa11 LEU 49 H 0.17 0.91 0.37 -0.55 8.37 9.28 2bpa11 LEU 49 HA 0.18 0.18 0.98 -0.75 4.35 4.94 2bpa11 LEU 49 HB2 -0.00 -0.04 -0.08 -0.04 1.64 1.47 2bpa11 LEU 49 HB3 0.02 -0.04 0.05 -0.04 1.64 1.62 2bpa11 LEU 49 HG 0.06 0.15 -0.06 -0.04 1.64 1.75 2bpa11 LEU 49 HD13 -0.49 -0.02 -0.17 -0.04 0.93 0.21 2bpa11 LEU 49 HD23 -0.16 -0.02 -0.26 -0.04 0.89 0.41 2bpa11 ARG 50 H 0.18 0.69 0.38 -0.55 8.46 9.15 2bpa11 ARG 50 HA 0.09 0.54 1.07 -0.75 4.34 5.29 2bpa11 ARG 50 HB2 0.11 -0.01 0.07 -0.04 1.90 2.02 2bpa11 ARG 50 HB3 0.08 0.08 0.05 -0.04 1.80 1.97 2bpa11 ARG 50 HG2 0.08 0.02 -0.03 -0.04 1.67 1.70 2bpa11 ARG 50 HG3 0.09 -0.14 -0.36 -0.04 1.67 1.22 2bpa11 ARG 50 HD2 0.08 -0.00 -0.12 -0.04 3.22 3.14 2bpa11 ARG 50 HD3 0.07 0.01 -0.07 -0.04 3.22 3.18 2bpa11 LEU 51 H 0.10 0.18 0.25 -0.55 8.37 8.35 2bpa11 LEU 51 HA 0.12 0.16 0.84 -0.75 4.35 4.72 2bpa11 LEU 51 HB2 0.15 -0.10 0.10 -0.04 1.64 1.74 2bpa11 LEU 51 HB3 0.28 0.12 0.09 -0.04 1.64 2.08 2bpa11 LEU 51 HG 0.27 0.12 0.09 -0.04 1.64 2.07 2bpa11 LEU 51 HD13 0.03 -0.01 -0.14 -0.04 0.93 0.78 2bpa11 LEU 51 HD23 0.31 -0.02 -0.03 -0.04 0.89 1.12 2bpa11 SER 52 H -0.25 0.49 0.21 -0.55 8.46 8.37 2bpa11 SER 52 HA -0.00 -0.02 0.42 -0.75 4.49 4.13 2bpa11 SER 52 HB2 -0.18 -0.04 0.10 -0.04 3.95 3.79 2bpa11 SER 52 HB3 -0.03 -0.04 0.08 -0.04 3.93 3.90 2bpa11 PRO 53 HA 0.08 0.09 0.55 -0.51 4.44 4.64 2bpa11 PRO 53 HB2 0.04 0.05 0.01 -0.04 2.28 2.35 2bpa11 PRO 53 HB3 0.03 0.00 0.10 -0.04 2.02 2.11 2bpa11 PRO 53 HG2 0.05 -0.02 0.03 -0.04 2.03 2.04 2bpa11 PRO 53 HG3 0.03 -0.00 0.03 -0.04 2.03 2.05 2bpa11 PRO 53 HD2 0.04 0.10 0.14 -0.04 3.68 3.92 2bpa11 PRO 53 HD3 0.03 0.13 0.14 -0.04 3.65 3.91 2bpa11 LEU 54 H 0.06 0.27 0.28 -0.55 8.37 8.44 2bpa11 LEU 54 HA 0.07 0.14 1.17 -0.75 4.35 4.98 2bpa11 LEU 54 HB2 -0.12 0.03 0.22 -0.04 1.64 1.73 2bpa11 LEU 54 HB3 -0.01 0.03 0.00 -0.04 1.64 1.62 2bpa11 LEU 54 HG 0.11 0.03 0.06 -0.04 1.64 1.79 2bpa11 LEU 54 HD13 -0.04 -0.06 0.05 -0.04 0.93 0.84 2bpa11 LEU 54 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.82 2bpa11 ARG 55 H -0.09 0.54 0.29 -0.55 8.46 8.66 2bpa11 ARG 55 HA -0.02 0.01 0.52 -0.75 4.34 4.09 2bpa11 ARG 55 HB2 -0.09 0.04 -0.02 -0.04 1.90 1.78 2bpa11 ARG 55 HB3 -0.04 -0.05 0.01 -0.04 1.80 1.67 2bpa11 ARG 55 HG2 -0.00 -0.09 -0.16 -0.04 1.67 1.38 2bpa11 ARG 55 HG3 -0.00 -0.04 -0.39 -0.04 1.67 1.20 2bpa11 ARG 55 HD2 -0.03 0.07 -0.52 -0.04 3.22 2.69 2bpa11 ARG 55 HD3 -0.04 -0.04 -0.16 -0.04 3.22 2.94 2bpa11 ARG 56 H -0.15 0.12 -0.09 -0.55 8.46 7.79 2bpa11 ARG 56 HA -0.03 0.30 0.88 -0.75 4.34 4.74 2bpa11 ARG 56 HB2 -0.09 -0.16 0.22 -0.04 1.90 1.83 2bpa11 ARG 56 HB3 -0.11 0.07 -0.04 -0.04 1.80 1.67 2bpa11 ARG 56 HG2 -0.39 -0.10 0.06 -0.04 1.67 1.19 2bpa11 ARG 56 HG3 -0.42 0.21 -0.03 -0.04 1.67 1.39 2bpa11 ARG 56 HD2 -1.91 0.01 -0.20 -0.04 3.22 1.07 2bpa11 ARG 56 HD3 -0.47 -0.09 -0.03 -0.04 3.22 2.59 2bpa11 GLY 57 H -0.04 0.08 0.08 -0.55 8.43 8.01 2bpa11 GLY 57 HA2 -0.00 -0.05 0.30 -0.51 4.01 3.75 2bpa11 GLY 57 HA3 -0.03 0.03 0.21 -0.51 4.01 3.71 2bpa11 LEU 58 H -0.02 -0.02 0.05 -0.55 8.37 7.83 2bpa11 LEU 58 HA -0.02 0.08 0.35 -0.75 4.35 4.01 2bpa11 LEU 58 HB2 0.01 0.01 -0.04 -0.04 1.64 1.58 2bpa11 LEU 58 HB3 0.04 0.05 -0.11 -0.04 1.64 1.58 2bpa11 LEU 58 HG -0.01 -0.13 -0.09 -0.04 1.64 1.37 2bpa11 LEU 58 HD13 0.03 0.00 -0.37 -0.04 0.93 0.55 2bpa11 LEU 58 HD23 0.03 0.03 -0.29 -0.04 0.89 0.62 2bpa11 ALA 59 H 0.01 0.02 0.18 -0.55 8.40 8.07 2bpa11 ALA 59 HA 0.08 0.13 0.70 -0.75 4.34 4.50 2bpa11 ALA 59 HB3 0.17 0.03 0.02 -0.04 1.41 1.58 2bpa11 ILE 60 H 0.08 0.10 0.19 -0.55 8.25 8.06 2bpa11 ILE 60 HA 0.09 0.21 1.05 -0.75 4.18 4.77 2bpa11 ILE 60 HB 0.20 0.02 0.02 -0.04 1.89 2.08 2bpa11 ILE 60 HG12 0.16 -0.09 -0.44 -0.04 1.49 1.08 2bpa11 ILE 60 HG13 0.04 0.01 -0.02 -0.04 1.21 1.20 2bpa11 ILE 60 HG23 0.18 0.05 0.01 -0.04 0.93 1.13 2bpa11 ILE 60 HD13 0.33 0.02 -0.06 -0.04 0.88 1.12 2bpa11 ASP 61 H 0.07 0.10 0.13 -0.55 8.40 8.15 2bpa11 ASP 61 HA 0.23 0.09 0.54 -0.75 4.63 4.73 2bpa11 ASP 61 HB2 0.02 -0.06 0.08 -0.04 2.71 2.71 2bpa11 ASP 61 HB3 0.36 0.10 -0.01 -0.04 2.70 3.12 2bpa11 SER 62 H 0.20 0.18 0.28 -0.55 8.46 8.58 2bpa11 SER 62 HA 0.17 0.17 0.87 -0.75 4.49 4.95 2bpa11 SER 62 HB2 -0.55 0.16 0.02 -0.04 3.95 3.54 2bpa11 SER 62 HB3 -0.99 -0.02 0.01 -0.04 3.93 2.89 2bpa11 THR 63 H -0.25 0.77 0.44 -0.55 8.28 8.70 2bpa11 THR 63 HA -0.84 0.25 1.09 -0.75 4.39 4.13 2bpa11 THR 63 HB -2.47 -0.03 -0.02 -0.04 4.32 1.76 2bpa11 THR 63 HG23 -0.38 0.03 -0.05 -0.04 1.22 0.78 2bpa11 VAL 64 H -0.49 0.95 0.48 -0.55 8.24 8.63 2bpa11 VAL 64 HA -0.40 0.26 1.01 -0.75 4.13 4.26 2bpa11 VAL 64 HB -0.38 -0.09 -0.02 -0.04 2.12 1.60 2bpa11 VAL 64 HG13 -0.55 -0.00 -0.21 -0.04 0.97 0.17 2bpa11 VAL 64 HG23 -0.34 0.01 -0.29 -0.04 0.95 0.29 2bpa11 ASP 65 H -0.30 0.64 0.34 -0.55 8.40 8.53 2bpa11 ASP 65 HA -0.42 0.40 1.26 -0.75 4.63 5.11 2bpa11 ASP 65 HB2 -0.04 0.01 0.10 -0.04 2.71 2.74 2bpa11 ASP 65 HB3 -0.80 0.01 -0.06 -0.04 2.70 1.81 2bpa11 ILE 66 H -0.51 0.77 0.39 -0.55 8.25 8.35 2bpa11 ILE 66 HA -0.24 0.30 1.03 -0.75 4.18 4.51 2bpa11 ILE 66 HB -0.41 -0.10 0.04 -0.04 1.89 1.39 2bpa11 ILE 66 HG12 -0.37 0.07 -0.17 -0.04 1.49 0.98 2bpa11 ILE 66 HG13 -0.45 -0.04 -0.52 -0.04 1.21 0.16 2bpa11 ILE 66 HG23 -0.57 -0.00 -0.16 -0.04 0.93 0.15 2bpa11 ILE 66 HD13 -0.59 -0.02 -0.24 -0.04 0.88 -0.01 2bpa11 PHE 67 H 0.07 0.79 0.36 -0.55 8.34 9.01 2bpa11 PHE 67 HA -0.13 0.31 1.14 -0.75 4.62 5.20 2bpa11 PHE 67 HB2 0.13 -0.05 0.03 -0.04 3.15 3.22 2bpa11 PHE 67 HB3 -0.19 0.01 -0.08 -0.04 3.06 2.76 2bpa11 PHE 67 HD2 -0.08 0.04 -0.20 -0.04 7.28 7.00 2bpa11 PHE 67 HE2 0.03 0.02 -0.15 -0.04 7.38 7.24 2bpa11 PHE 67 HZ 0.06 0.03 -0.12 -0.04 7.32 7.24 2bpa11 THR 68 H -0.09 0.55 0.32 -0.55 8.28 8.51 2bpa11 THR 68 HA 0.10 0.35 1.26 -0.75 4.39 5.34 2bpa11 THR 68 HB 0.03 -0.10 0.08 -0.04 4.32 4.29 2bpa11 THR 68 HG23 -0.05 0.00 -0.26 -0.04 1.22 0.87 2bpa11 PHE 69 H 0.22 0.79 0.34 -0.55 8.34 9.14 2bpa11 PHE 69 HA -0.12 0.24 1.15 -0.75 4.62 5.13 2bpa11 PHE 69 HB2 -0.06 -0.04 -0.03 -0.04 3.15 2.98 2bpa11 PHE 69 HB3 -0.12 0.02 -0.11 -0.04 3.06 2.81 2bpa11 PHE 69 HD2 -0.13 0.01 -0.44 -0.04 7.28 6.68 2bpa11 PHE 69 HE2 -0.78 0.03 -0.16 -0.04 7.38 6.43 2bpa11 PHE 69 HZ -0.63 0.05 -0.12 -0.04 7.32 6.58 2bpa11 TYR 70 H 0.05 0.61 0.35 -0.55 8.29 8.75 2bpa11 TYR 70 HA -0.15 0.24 0.99 -0.75 4.56 4.88 2bpa11 TYR 70 HB2 -0.46 0.03 -0.03 -0.04 3.06 2.55 2bpa11 TYR 70 HB3 -0.30 0.01 0.14 -0.04 2.98 2.79 2bpa11 TYR 70 HD2 -0.14 0.03 -0.10 -0.04 7.15 6.90 2bpa11 TYR 70 HE2 -0.02 -0.01 -0.14 -0.04 6.85 6.65 2bpa11 VAL 71 H -0.32 0.66 0.24 -0.55 8.24 8.27 2bpa11 VAL 71 HA -0.50 0.20 0.88 -0.75 4.13 3.96 2bpa11 VAL 71 HB -0.00 -0.06 0.11 -0.04 2.12 2.12 2bpa11 VAL 71 HG13 -0.15 0.00 -0.12 -0.04 0.97 0.66 2bpa11 VAL 71 HG23 -0.19 0.00 -0.20 -0.04 0.95 0.52 2bpa11 PRO 72 HA -0.58 0.26 0.57 -0.51 4.44 4.18 2bpa11 PRO 72 HB2 -0.30 -0.20 0.01 -0.04 2.28 1.75 2bpa11 PRO 72 HB3 -0.20 0.08 0.05 -0.04 2.02 1.91 2bpa11 PRO 72 HG2 -0.80 0.04 0.01 -0.04 2.03 1.24 2bpa11 PRO 72 HG3 -0.46 0.07 -0.01 -0.04 2.03 1.59 2bpa11 PRO 72 HD2 -1.35 0.12 0.12 -0.04 3.68 2.53 2bpa11 PRO 72 HD3 -0.95 0.27 0.03 -0.04 3.65 2.96 2bpa11 HIS 73 H -0.70 0.68 0.34 -0.55 8.41 8.19 2bpa11 HIS 73 HA -0.31 0.13 0.37 -0.75 4.63 4.06 2bpa11 HIS 73 HB2 -2.05 0.03 0.01 -0.04 3.26 1.21 2bpa11 HIS 73 HB3 -0.56 -0.04 -0.00 -0.04 3.20 2.56 2bpa11 HIS 73 HD2 -0.33 -0.05 -0.03 -0.04 6.97 6.52 2bpa11 HIS 73 HE1 -0.15 0.09 -0.09 -0.04 7.75 7.56 2bpa11 ARG 74 H -0.38 0.18 -0.17 -0.55 8.46 7.53 2bpa11 ARG 74 HA 0.13 0.04 0.37 -0.75 4.34 4.12 2bpa11 ARG 74 HB2 0.13 0.01 0.05 -0.04 1.90 2.04 2bpa11 ARG 74 HB3 0.14 0.04 -0.03 -0.04 1.80 1.90 2bpa11 ARG 74 HG2 0.18 0.04 -0.15 -0.04 1.67 1.70 2bpa11 ARG 74 HG3 0.33 -0.01 -0.03 -0.04 1.67 1.92 2bpa11 ARG 74 HD2 0.17 0.03 -0.06 -0.04 3.22 3.32 2bpa11 ARG 74 HD3 0.29 0.00 -0.04 -0.04 3.22 3.43 2bpa11 HIS 75 H 0.05 0.12 -0.45 -0.55 8.41 7.59 2bpa11 HIS 75 HA -0.02 0.04 0.26 -0.75 4.63 4.15 2bpa11 HIS 75 HB2 -0.14 0.42 0.06 -0.04 3.26 3.56 2bpa11 HIS 75 HB3 -0.09 0.08 -0.12 -0.04 3.20 3.02 2bpa11 HIS 75 HD2 0.03 -0.15 -0.06 -0.04 6.97 6.74 2bpa11 HIS 75 HE1 0.28 0.31 -0.19 -0.04 7.75 8.11 2bpa11 VAL 76 H -0.05 0.14 -0.55 -0.55 8.24 7.23 2bpa11 VAL 76 HA -0.11 0.25 0.87 -0.75 4.13 4.39 2bpa11 VAL 76 HB -0.28 -0.03 0.08 -0.04 2.12 1.85 2bpa11 VAL 76 HG13 -0.58 -0.04 -0.25 -0.04 0.97 0.06 2bpa11 VAL 76 HG23 -0.11 0.02 -0.14 -0.04 0.95 0.68 2bpa11 TYR 77 H 0.14 0.55 0.19 -0.55 8.29 8.62 2bpa11 TYR 77 HA 0.07 0.23 0.85 -0.75 4.56 4.95 2bpa11 TYR 77 HB2 0.25 -0.05 0.02 -0.04 3.06 3.23 2bpa11 TYR 77 HB3 0.13 -0.05 0.09 -0.04 2.98 3.11 2bpa11 TYR 77 HD2 -0.02 0.07 -0.00 -0.04 7.15 7.16 2bpa11 TYR 77 HE2 -0.09 0.04 0.01 -0.04 6.85 6.77 2bpa11 GLY 78 H 0.14 0.62 -0.07 -0.55 8.43 8.58 2bpa11 GLY 78 HA2 0.13 0.17 0.35 -0.51 4.01 4.14 2bpa11 GLY 78 HA3 0.11 0.00 0.34 -0.51 4.01 3.95 2bpa11 GLU 79 H 0.10 0.21 0.21 -0.55 8.60 8.57 2bpa11 GLU 79 HA 0.10 0.03 0.40 -0.75 4.29 4.06 2bpa11 GLU 79 HB2 0.07 0.03 0.21 -0.04 2.09 2.36 2bpa11 GLU 79 HB3 0.07 0.05 -0.07 -0.04 1.99 2.01 2bpa11 GLU 79 HG2 0.05 0.03 0.08 -0.04 2.34 2.46 2bpa11 GLU 79 HG3 0.04 0.03 0.03 -0.04 2.34 2.41 2bpa11 GLN 80 H 0.15 0.35 -0.21 -0.55 8.47 8.21 2bpa11 GLN 80 HA 0.08 0.02 0.42 -0.75 4.36 4.14 2bpa11 GLN 80 HB2 0.11 -0.02 0.12 -0.04 2.15 2.31 2bpa11 GLN 80 HB3 0.20 0.19 0.14 -0.04 2.02 2.51 2bpa11 GLN 80 HG2 0.05 -0.02 -0.15 -0.04 2.40 2.23 2bpa11 GLN 80 HG3 0.07 -0.01 0.05 -0.04 2.39 2.46 2bpa11 GLN 80 HE21 0.17 -0.01 0.05 -0.04 6.97 7.13 2bpa11 GLN 80 HE22 0.20 0.08 0.08 -0.04 7.69 8.01 2bpa11 TRP 81 H 0.36 0.44 -0.40 -0.55 7.97 7.83 2bpa11 TRP 81 HA -0.13 0.09 0.44 -0.75 4.62 4.27 2bpa11 TRP 81 HB2 0.10 -0.02 -0.06 -0.04 3.23 3.22 2bpa11 TRP 81 HB3 0.12 0.16 -0.00 -0.04 3.23 3.47 2bpa11 TRP 81 HD1 0.10 0.03 -0.19 -0.04 7.22 7.11 2bpa11 TRP 81 HE1 0.09 0.01 -0.05 -0.04 10.20 10.21 2bpa11 TRP 81 HE3 -0.70 0.03 -0.03 -0.04 7.59 6.85 2bpa11 TRP 81 HZ2 -0.21 -0.04 0.03 -0.04 7.44 7.19 2bpa11 TRP 81 HZ3 -0.67 0.04 -0.03 -0.04 7.13 6.43 2bpa11 TRP 81 HH2 -0.21 0.04 -0.01 -0.04 7.19 6.97 2bpa11 ILE 82 H 0.24 0.40 -0.15 -0.55 8.25 8.19 2bpa11 ILE 82 HA -0.01 -0.00 0.34 -0.75 4.18 3.75 2bpa11 ILE 82 HB 0.07 0.20 0.13 -0.04 1.89 2.25 2bpa11 ILE 82 HG12 0.25 0.03 -0.03 -0.04 1.49 1.71 2bpa11 ILE 82 HG13 0.13 -0.03 -0.04 -0.04 1.21 1.22 2bpa11 ILE 82 HG23 0.04 -0.01 -0.11 -0.04 0.93 0.81 2bpa11 ILE 82 HD13 0.16 -0.01 -0.03 -0.04 0.88 0.97 2bpa11 LYS 83 H 0.02 0.54 -0.18 -0.55 8.42 8.24 2bpa11 LYS 83 HA -0.04 0.03 0.52 -0.75 4.32 4.07 2bpa11 LYS 83 HB2 0.01 -0.02 0.09 -0.04 1.87 1.91 2bpa11 LYS 83 HB3 0.02 0.11 0.13 -0.04 1.79 2.00 2bpa11 LYS 83 HG2 -0.01 0.04 -0.20 -0.04 1.46 1.25 2bpa11 LYS 83 HG3 -0.04 -0.08 0.03 -0.04 1.46 1.33 2bpa11 LYS 83 HD2 0.00 -0.02 0.01 -0.04 1.69 1.64 2bpa11 LYS 83 HD3 0.01 0.00 -0.01 -0.04 1.68 1.64 2bpa11 LYS 83 HE2 -0.03 -0.02 -0.00 -0.04 2.99 2.90 2bpa11 LYS 83 HE3 -0.01 -0.01 -0.00 -0.04 2.99 2.92 2bpa11 PHE 84 H -0.02 0.43 -0.21 -0.55 8.34 7.99 2bpa11 PHE 84 HA -0.21 -0.01 0.43 -0.75 4.62 4.08 2bpa11 PHE 84 HB2 -0.23 0.09 0.15 -0.04 3.15 3.13 2bpa11 PHE 84 HB3 -0.58 0.11 0.26 -0.04 3.06 2.81 2bpa11 PHE 84 HD2 -0.66 0.14 -0.12 -0.04 7.28 6.60 2bpa11 PHE 84 HE2 -0.23 -0.05 -0.11 -0.04 7.38 6.96 2bpa11 PHE 84 HZ -0.09 -0.02 -0.06 -0.04 7.32 7.11 2bpa11 MET 85 H -0.48 0.59 -0.08 -0.55 8.47 7.95 2bpa11 MET 85 HA -0.41 0.02 0.40 -0.75 4.52 3.77 2bpa11 MET 85 HB2 -0.38 0.07 0.14 -0.04 2.15 1.93 2bpa11 MET 85 HB3 -0.21 -0.02 0.02 -0.04 2.03 1.78 2bpa11 MET 85 HG2 -1.68 0.06 0.03 -0.04 2.63 1.00 2bpa11 MET 85 HG3 -0.30 -0.08 0.03 -0.04 2.56 2.17 2bpa11 MET 85 HE3 -0.12 -0.01 0.04 -0.04 2.10 1.98 2bpa11 LYS 86 H -0.18 0.37 -0.28 -0.55 8.42 7.78 2bpa11 LYS 86 HA -0.09 0.02 0.43 -0.75 4.32 3.92 2bpa11 LYS 86 HB2 -0.08 0.03 0.16 -0.04 1.87 1.95 2bpa11 LYS 86 HB3 -0.06 -0.06 0.05 -0.04 1.79 1.68 2bpa11 LYS 86 HG2 -0.07 -0.09 0.08 -0.04 1.46 1.34 2bpa11 LYS 86 HG3 -0.06 0.18 0.09 -0.04 1.46 1.63 2bpa11 LYS 86 HD2 -0.02 -0.03 0.01 -0.04 1.69 1.61 2bpa11 LYS 86 HD3 -0.01 -0.06 -0.02 -0.04 1.68 1.55 2bpa11 LYS 86 HE2 -0.03 0.05 0.00 -0.04 2.99 2.97 2bpa11 LYS 86 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.89 2bpa11 ASP 87 H -0.14 0.84 0.08 -0.55 8.40 8.62 2bpa11 ASP 87 HA -0.11 -0.06 0.34 -0.75 4.63 4.05 2bpa11 ASP 87 HB2 -0.18 0.09 0.16 -0.04 2.71 2.74 2bpa11 ASP 87 HB3 -0.15 -0.07 -0.15 -0.04 2.70 2.30 2bpa11 GLY 88 H -0.30 0.43 -0.53 -0.55 8.43 7.47 2bpa11 GLY 88 HA2 -0.28 0.04 0.28 -0.51 4.01 3.54 2bpa11 GLY 88 HA3 -0.17 0.00 0.40 -0.51 4.01 3.73 2bpa11 VAL 89 H -0.14 0.13 0.19 -0.55 8.24 7.88 2bpa11 VAL 89 HA -0.16 0.03 0.35 -0.75 4.13 3.60 2bpa11 VAL 89 HB -0.08 -0.01 0.19 -0.04 2.12 2.17 2bpa11 VAL 89 HG13 -0.06 -0.01 -0.16 -0.04 0.97 0.70 2bpa11 VAL 89 HG23 -0.06 -0.00 0.07 -0.04 0.95 0.91 2bpa11 ASN 90 H -0.13 0.20 -0.32 -0.55 8.53 7.74 2bpa11 ASN 90 HA -0.09 0.23 0.90 -0.75 4.76 5.04 2bpa11 ASN 90 HB2 -0.07 0.00 0.04 -0.04 2.88 2.81 2bpa11 ASN 90 HB3 -0.06 -0.04 0.13 -0.04 2.79 2.79 2bpa11 ASN 90 HD21 -0.04 -0.02 -0.05 -0.04 7.03 6.88 2bpa11 ASN 90 HD22 -0.05 0.00 -0.02 -0.04 7.74 7.63 2bpa11 ALA 91 H -0.28 0.70 -0.45 -0.55 8.40 7.83 2bpa11 ALA 91 HA -0.15 -0.07 0.35 -0.75 4.34 3.71 2bpa11 ALA 91 HB3 -0.60 0.00 0.05 -0.04 1.41 0.83 2bpa11 THR 92 H 0.00 0.00 0.12 -0.55 8.28 7.85 2bpa11 THR 92 HA 0.01 0.09 0.48 -0.75 4.39 4.22 2bpa11 THR 92 HB 0.06 -0.07 0.03 -0.04 4.32 4.30 2bpa11 THR 92 HG23 0.03 0.06 -0.07 -0.04 1.22 1.20 2bpa11 PRO 93 HA 0.23 0.02 0.32 -0.51 4.44 4.49 2bpa11 PRO 93 HB2 0.05 0.06 -0.02 -0.04 2.28 2.33 2bpa11 PRO 93 HB3 0.07 0.04 0.08 -0.04 2.02 2.16 2bpa11 PRO 93 HG2 0.04 -0.00 0.03 -0.04 2.03 2.05 2bpa11 PRO 93 HG3 0.03 0.02 0.05 -0.04 2.03 2.09 2bpa11 PRO 93 HD2 0.03 0.03 0.21 -0.04 3.68 3.91 2bpa11 PRO 93 HD3 0.03 0.25 0.19 -0.04 3.65 4.08 2bpa11 LEU 94 H -0.03 0.04 0.12 -0.55 8.37 7.96 2bpa11 LEU 94 HA -0.12 0.12 0.46 -0.75 4.35 4.06 2bpa11 LEU 94 HB2 -0.22 -0.04 0.11 -0.04 1.64 1.45 2bpa11 LEU 94 HB3 -0.45 0.00 0.06 -0.04 1.64 1.21 2bpa11 LEU 94 HG -1.01 0.05 0.04 -0.04 1.64 0.67 2bpa11 LEU 94 HD13 -0.81 -0.02 -0.00 -0.04 0.93 0.06 2bpa11 LEU 94 HD23 -0.86 0.00 -0.03 -0.04 0.89 -0.05 2bpa11 PRO 95 HA 0.07 0.08 0.43 -0.51 4.44 4.51 2bpa11 PRO 95 HB2 0.12 0.01 -0.02 -0.04 2.28 2.35 2bpa11 PRO 95 HB3 0.10 0.07 0.11 -0.04 2.02 2.25 2bpa11 PRO 95 HG2 0.44 -0.08 0.09 -0.04 2.03 2.44 2bpa11 PRO 95 HG3 0.26 0.07 0.08 -0.04 2.03 2.40 2bpa11 PRO 95 HD2 -0.08 0.03 0.21 -0.04 3.68 3.80 2bpa11 PRO 95 HD3 0.06 0.22 0.17 -0.04 3.65 4.06 2bpa11 THR 96 H 0.05 0.22 0.12 -0.55 8.28 8.13 2bpa11 THR 96 HA 0.05 -0.06 0.98 -0.75 4.39 4.60 2bpa11 THR 96 HB 0.03 0.05 -0.14 -0.04 4.32 4.22 2bpa11 THR 96 HG23 0.02 -0.01 0.04 -0.04 1.22 1.22 2bpa11 VAL 97 H 0.04 0.03 0.14 -0.55 8.24 7.91 2bpa11 VAL 97 HA 0.02 0.04 0.52 -0.75 4.13 3.95 2bpa11 VAL 97 HB 0.10 -0.09 0.19 -0.04 2.12 2.27 2bpa11 VAL 97 HG13 -0.01 0.02 -0.13 -0.04 0.97 0.81 2bpa11 VAL 97 HG23 0.10 -0.01 0.22 -0.04 0.95 1.22 2bpa11 ASN 98 H -0.05 0.07 0.23 -0.55 8.53 8.24 2bpa11 ASN 98 HA -0.05 0.34 1.27 -0.75 4.76 5.57 2bpa11 ASN 98 HB2 -0.04 -0.15 0.10 -0.04 2.88 2.75 2bpa11 ASN 98 HB3 -0.04 0.15 -0.02 -0.04 2.79 2.84 2bpa11 ASN 98 HD21 -0.01 -0.01 -0.06 -0.04 7.03 6.91 2bpa11 ASN 98 HD22 -0.02 0.16 -0.18 -0.04 7.74 7.65 2bpa11 THR 99 H -0.05 0.71 0.24 -0.55 8.28 8.63 2bpa11 THR 99 HA -0.05 0.03 0.66 -0.75 4.39 4.26 2bpa11 THR 99 HB 0.02 0.04 -0.03 -0.04 4.32 4.31 2bpa11 THR 99 HG23 -0.05 -0.00 -0.20 -0.04 1.22 0.93 2bpa11 THR 100 H 0.05 0.17 0.11 -0.55 8.28 8.05 2bpa11 THR 100 HA -0.08 0.12 0.64 -0.75 4.39 4.32 2bpa11 THR 100 HB 0.12 -0.03 0.06 -0.04 4.32 4.44 2bpa11 THR 100 HG23 -0.27 -0.03 -0.26 -0.04 1.22 0.61 2bpa11 GLY 101 H -0.28 0.13 0.11 -0.55 8.43 7.85 2bpa11 GLY 101 HA2 -0.19 0.17 0.17 -0.51 4.01 3.65 2bpa11 GLY 101 HA3 -0.36 -0.00 0.42 -0.51 4.01 3.56 2bpa11 TYR 102 H -0.04 0.69 0.32 -0.55 8.29 8.71 2bpa11 TYR 102 HA -0.07 0.24 0.97 -0.75 4.56 4.95 2bpa11 TYR 102 HB2 -0.22 -0.05 -0.07 -0.04 3.06 2.68 2bpa11 TYR 102 HB3 -0.05 -0.11 0.06 -0.04 2.98 2.84 2bpa11 TYR 102 HD2 -0.71 -0.01 -0.06 -0.04 7.15 6.32 2bpa11 TYR 102 HE2 -0.18 0.00 -0.05 -0.04 6.85 6.58 2bpa11 ILE 103 H 0.14 0.16 0.15 -0.55 8.25 8.15 2bpa11 ILE 103 HA 0.04 0.18 0.47 -0.75 4.18 4.12 2bpa11 ILE 103 HB 0.04 0.03 0.14 -0.04 1.89 2.07 2bpa11 ILE 103 HG12 0.02 0.00 -0.05 -0.04 1.49 1.42 2bpa11 ILE 103 HG13 0.02 0.05 0.08 -0.04 1.21 1.32 2bpa11 ILE 103 HG23 0.04 0.01 0.06 -0.04 0.93 1.01 2bpa11 ILE 103 HD13 0.01 0.01 0.01 -0.04 0.88 0.86 2bpa11 ASP 104 H 0.11 0.06 -0.07 -0.55 8.40 7.96 2bpa11 ASP 104 HA 0.02 0.30 0.91 -0.75 4.63 5.11 2bpa11 ASP 104 HB2 -0.11 0.05 0.22 -0.04 2.71 2.83 2bpa11 ASP 104 HB3 -0.02 0.08 0.10 -0.04 2.70 2.81 2bpa11 HIS 105 H 0.26 0.34 -0.51 -0.55 8.41 7.95 2bpa11 HIS 105 HA 0.00 0.16 0.48 -0.75 4.63 4.52 2bpa11 HIS 105 HB2 0.12 0.11 0.09 -0.04 3.26 3.55 2bpa11 HIS 105 HB3 0.06 -0.07 0.16 -0.04 3.20 3.30 2bpa11 HIS 105 HD2 0.06 0.06 -0.03 -0.04 6.97 7.01 2bpa11 HIS 105 HE1 -0.25 -0.01 -0.06 -0.04 7.75 7.39 2bpa11 ALA 106 H 0.05 0.15 -0.43 -0.55 8.40 7.63 2bpa11 ALA 106 HA 0.14 0.09 0.61 -0.75 4.34 4.43 2bpa11 ALA 106 HB3 -0.04 0.01 -0.13 -0.04 1.41 1.22 2bpa11 ALA 107 H 0.03 0.26 0.01 -0.55 8.40 8.15 2bpa11 ALA 107 HA -0.04 0.06 0.49 -0.75 4.34 4.10 2bpa11 ALA 107 HB3 -0.05 0.01 0.25 -0.04 1.41 1.59 2bpa11 PHE 108 H 0.35 0.42 -0.25 -0.55 8.34 8.31 2bpa11 PHE 108 HA -0.14 0.10 0.30 -0.75 4.62 4.14 2bpa11 PHE 108 HB2 -0.39 -0.04 0.11 -0.04 3.15 2.79 2bpa11 PHE 108 HB3 -0.18 0.02 -0.09 -0.04 3.06 2.77 2bpa11 PHE 108 HD2 -0.78 0.16 -0.04 -0.04 7.28 6.58 2bpa11 PHE 108 HE2 -0.15 0.03 -0.00 -0.04 7.38 7.21 2bpa11 PHE 108 HZ -0.01 -0.09 -0.03 -0.04 7.32 7.15 2bpa11 LEU 109 H -0.53 0.46 -0.59 -0.55 8.37 7.16 2bpa11 LEU 109 HA -0.31 0.09 0.64 -0.75 4.35 4.02 2bpa11 LEU 109 HB2 -0.39 0.14 -0.02 -0.04 1.64 1.33 2bpa11 LEU 109 HB3 -0.24 -0.04 0.04 -0.04 1.64 1.37 2bpa11 LEU 109 HG -2.15 -0.08 -0.16 -0.04 1.64 -0.79 2bpa11 LEU 109 HD13 -0.27 -0.04 -0.16 -0.04 0.93 0.42 2bpa11 LEU 109 HD23 -0.48 0.07 -0.08 -0.04 0.89 0.37 2bpa11 GLY 110 H -0.12 0.40 -0.49 -0.55 8.43 7.68 2bpa11 GLY 110 HA2 -0.02 0.11 0.34 -0.51 4.01 3.93 2bpa11 GLY 110 HA3 -0.02 0.01 0.20 -0.51 4.01 3.70 2bpa11 THR 111 H -0.07 0.25 -0.06 -0.55 8.28 7.85 2bpa11 THR 111 HA -0.04 0.11 0.61 -0.75 4.39 4.32 2bpa11 THR 111 HB -0.09 0.15 -0.30 -0.04 4.32 4.04 2bpa11 THR 111 HG23 -0.11 -0.02 -0.33 -0.04 1.22 0.71 2bpa11 ILE 112 H -0.02 0.13 0.10 -0.55 8.25 7.90 2bpa11 ILE 112 HA -0.00 0.13 0.67 -0.75 4.18 4.22 2bpa11 ILE 112 HB -0.00 -0.03 0.08 -0.04 1.89 1.90 2bpa11 ILE 112 HG12 0.00 0.08 -0.02 -0.04 1.49 1.51 2bpa11 ILE 112 HG13 0.01 -0.01 -0.11 -0.04 1.21 1.05 2bpa11 ILE 112 HG23 0.00 -0.00 -0.08 -0.04 0.93 0.81 2bpa11 ILE 112 HD13 0.01 -0.01 -0.00 -0.04 0.88 0.83 2bpa11 ASN 113 H 0.01 0.35 0.22 -0.55 8.53 8.57 2bpa11 ASN 113 HA -0.01 0.08 0.45 -0.75 4.76 4.52 2bpa11 ASN 113 HB2 0.04 -0.02 0.14 -0.04 2.88 3.00 2bpa11 ASN 113 HB3 0.01 -0.06 0.01 -0.04 2.79 2.71 2bpa11 ASN 113 HD21 -0.01 -0.06 -0.18 -0.04 7.03 6.74 2bpa11 ASN 113 HD22 0.02 0.15 0.10 -0.04 7.74 7.98 2bpa11 PRO 114 HA -0.01 -0.01 0.41 -0.51 4.44 4.32 2bpa11 PRO 114 HB2 -0.02 0.13 0.07 -0.04 2.28 2.42 2bpa11 PRO 114 HB3 -0.01 -0.06 0.14 -0.04 2.02 2.05 2bpa11 PRO 114 HG2 -0.03 0.22 0.10 -0.04 2.03 2.28 2bpa11 PRO 114 HG3 -0.02 0.04 0.09 -0.04 2.03 2.10 2bpa11 PRO 114 HD2 -0.03 0.03 0.06 -0.04 3.68 3.70 2bpa11 PRO 114 HD3 -0.03 0.22 0.24 -0.04 3.65 4.04 2bpa11 ASP 115 H -0.01 0.03 0.14 -0.55 8.40 8.01 2bpa11 ASP 115 HA -0.03 0.04 0.33 -0.75 4.63 4.22 2bpa11 ASP 115 HB2 -0.01 -0.07 0.13 -0.04 2.71 2.71 2bpa11 ASP 115 HB3 -0.02 -0.02 -0.06 -0.04 2.70 2.56 2bpa11 THR 116 H -0.02 -0.08 -0.07 -0.55 8.28 7.56 2bpa11 THR 116 HA -0.02 0.03 0.39 -0.75 4.39 4.03 2bpa11 THR 116 HB -0.01 0.03 0.03 -0.04 4.32 4.32 2bpa11 THR 116 HG23 -0.01 -0.02 0.06 -0.04 1.22 1.21 2bpa11 ASN 117 H -0.04 0.07 -0.01 -0.55 8.53 8.01 2bpa11 ASN 117 HA -0.03 0.67 1.14 -0.75 4.76 5.79 2bpa11 ASN 117 HB2 -0.05 0.00 0.13 -0.04 2.88 2.92 2bpa11 ASN 117 HB3 -0.04 -0.05 -0.17 -0.04 2.79 2.48 2bpa11 ASN 117 HD21 -0.10 -0.05 -0.04 -0.04 7.03 6.81 2bpa11 ASN 117 HD22 -0.07 -0.05 0.01 -0.04 7.74 7.59 2bpa11 LYS 118 H -0.03 0.38 -0.24 -0.55 8.42 7.98 2bpa11 LYS 118 HA -0.04 0.12 0.83 -0.75 4.32 4.48 2bpa11 LYS 118 HB2 -0.01 0.04 -0.16 -0.04 1.87 1.69 2bpa11 LYS 118 HB3 -0.02 0.06 -0.08 -0.04 1.79 1.70 2bpa11 LYS 118 HG2 -0.02 -0.19 -0.46 -0.04 1.46 0.76 2bpa11 LYS 118 HG3 -0.01 -0.00 -0.15 -0.04 1.46 1.26 2bpa11 LYS 118 HD2 -0.00 -0.05 -0.11 -0.04 1.69 1.48 2bpa11 LYS 118 HD3 -0.00 0.05 -0.13 -0.04 1.68 1.56 2bpa11 LYS 118 HE2 -0.00 0.10 -0.08 -0.04 2.99 2.97 2bpa11 LYS 118 HE3 -0.02 0.01 -0.21 -0.04 2.99 2.73 2bpa11 ILE 119 H -0.04 0.52 0.16 -0.55 8.25 8.35 2bpa11 ILE 119 HA -0.04 0.16 0.67 -0.75 4.18 4.22 2bpa11 ILE 119 HB -0.07 0.04 0.04 -0.04 1.89 1.86 2bpa11 ILE 119 HG12 -0.06 0.01 -0.10 -0.04 1.49 1.30 2bpa11 ILE 119 HG13 -0.04 0.01 -0.34 -0.04 1.21 0.80 2bpa11 ILE 119 HG23 -0.06 0.01 -0.24 -0.04 0.93 0.60 2bpa11 ILE 119 HD13 -0.09 0.00 -0.14 -0.04 0.88 0.61 2bpa11 PRO 120 HA -0.02 0.17 0.53 -0.51 4.44 4.60 2bpa11 PRO 120 HB2 -0.81 -0.14 0.09 -0.04 2.28 1.39 2bpa11 PRO 120 HB3 -0.11 0.08 0.11 -0.04 2.02 2.05 2bpa11 PRO 120 HG2 -0.05 0.08 0.08 -0.04 2.03 2.10 2bpa11 PRO 120 HG3 -0.01 0.10 0.07 -0.04 2.03 2.16 2bpa11 PRO 120 HD2 -0.12 0.11 0.19 -0.04 3.68 3.82 2bpa11 PRO 120 HD3 -0.05 0.22 0.23 -0.04 3.65 4.00 2bpa11 LYS 121 H 0.07 0.51 0.38 -0.55 8.42 8.82 2bpa11 LYS 121 HA 0.07 0.04 0.47 -0.75 4.32 4.14 2bpa11 LYS 121 HB2 0.10 -0.03 0.04 -0.04 1.87 1.94 2bpa11 LYS 121 HB3 0.18 0.12 0.14 -0.04 1.79 2.19 2bpa11 LYS 121 HG2 -0.30 -0.00 -0.42 -0.04 1.46 0.69 2bpa11 LYS 121 HG3 -0.01 -0.05 0.03 -0.04 1.46 1.39 2bpa11 LYS 121 HD2 0.08 -0.03 -0.03 -0.04 1.69 1.66 2bpa11 LYS 121 HD3 0.01 0.01 -0.04 -0.04 1.68 1.62 2bpa11 LYS 121 HE2 -0.10 0.10 -0.00 -0.04 2.99 2.95 2bpa11 LYS 121 HE3 0.02 0.01 0.02 -0.04 2.99 3.00 2bpa11 HIS 122 H -0.09 0.12 -0.28 -0.55 8.41 7.62 2bpa11 HIS 122 HA -0.20 0.08 0.39 -0.75 4.63 4.15 2bpa11 HIS 122 HB2 0.12 0.03 -0.01 -0.04 3.26 3.36 2bpa11 HIS 122 HB3 -0.07 0.01 0.04 -0.04 3.20 3.13 2bpa11 HIS 122 HD2 0.09 0.03 -0.33 -0.04 6.97 6.72 2bpa11 HIS 122 HE1 0.03 0.05 -0.01 -0.04 7.75 7.78 2bpa11 LEU 123 H -0.39 0.28 -0.31 -0.55 8.37 7.41 2bpa11 LEU 123 HA 0.24 0.06 0.35 -0.75 4.35 4.25 2bpa11 LEU 123 HB2 -0.19 -0.07 0.06 -0.04 1.64 1.40 2bpa11 LEU 123 HB3 -0.08 0.07 -0.01 -0.04 1.64 1.59 2bpa11 LEU 123 HG -0.04 0.01 -0.14 -0.04 1.64 1.42 2bpa11 LEU 123 HD13 -0.15 0.01 -0.01 -0.04 0.93 0.75 2bpa11 LEU 123 HD23 -0.11 0.02 -0.06 -0.04 0.89 0.71 2bpa11 PHE 124 H 0.11 0.21 -0.27 -0.55 8.34 7.83 2bpa11 PHE 124 HA -0.08 0.11 0.51 -0.75 4.62 4.40 2bpa11 PHE 124 HB2 -0.03 -0.01 -0.01 -0.04 3.15 3.06 2bpa11 PHE 124 HB3 -0.02 0.02 0.10 -0.04 3.06 3.13 2bpa11 PHE 124 HD2 0.10 0.03 -0.04 -0.04 7.28 7.33 2bpa11 PHE 124 HE2 0.19 0.08 -0.40 -0.04 7.38 7.21 2bpa11 PHE 124 HZ 0.12 -0.06 -0.35 -0.04 7.32 6.99 2bpa11 GLN 125 H -0.04 0.67 0.05 -0.55 8.47 8.61 2bpa11 GLN 125 HA -0.42 0.05 0.42 -0.75 4.36 3.66 2bpa11 GLN 125 HB2 -0.14 0.03 0.12 -0.04 2.15 2.13 2bpa11 GLN 125 HB3 -0.15 -0.04 0.07 -0.04 2.02 1.86 2bpa11 GLN 125 HG2 -0.14 0.09 0.03 -0.04 2.40 2.34 2bpa11 GLN 125 HG3 -0.16 -0.01 -0.13 -0.04 2.39 2.05 2bpa11 GLN 125 HE21 -0.14 0.04 0.01 -0.04 6.97 6.84 2bpa11 GLN 125 HE22 -0.15 -0.01 0.03 -0.04 7.69 7.51 2bpa11 GLY 126 H -0.05 0.48 -0.24 -0.55 8.43 8.08 2bpa11 GLY 126 HA2 -0.22 0.03 0.32 -0.51 4.01 3.62 2bpa11 GLY 126 HA3 -0.22 0.09 0.21 -0.51 4.01 3.59 2bpa11 TYR 127 H -0.22 0.29 -0.43 -0.55 8.29 7.39 2bpa11 TYR 127 HA -0.62 0.01 0.32 -0.75 4.56 3.52 2bpa11 TYR 127 HB2 -0.27 0.07 0.07 -0.04 3.06 2.89 2bpa11 TYR 127 HB3 -0.23 0.15 0.11 -0.04 2.98 2.97 2bpa11 TYR 127 HD2 -0.32 -0.00 -0.15 -0.04 7.15 6.64 2bpa11 TYR 127 HE2 -1.25 -0.01 -0.08 -0.04 6.85 5.47 2bpa11 LEU 128 H -0.25 0.42 -0.13 -0.55 8.37 7.86 2bpa11 LEU 128 HA -0.13 -0.03 0.39 -0.75 4.35 3.83 2bpa11 LEU 128 HB2 -0.28 0.19 0.17 -0.04 1.64 1.68 2bpa11 LEU 128 HB3 -0.13 0.06 0.04 -0.04 1.64 1.57 2bpa11 LEU 128 HG -0.72 0.14 -0.00 -0.04 1.64 1.01 2bpa11 LEU 128 HD13 -0.33 0.01 -0.07 -0.04 0.93 0.50 2bpa11 LEU 128 HD23 0.16 -0.04 -0.04 -0.04 0.89 0.93 2bpa11 ASN 129 H -0.25 0.52 -0.22 -0.55 8.53 8.03 2bpa11 ASN 129 HA -0.15 0.01 0.49 -0.75 4.76 4.36 2bpa11 ASN 129 HB2 -0.21 0.06 0.15 -0.04 2.88 2.84 2bpa11 ASN 129 HB3 -0.12 0.03 0.08 -0.04 2.79 2.74 2bpa11 ASN 129 HD21 -0.11 -0.02 -0.07 -0.04 7.03 6.79 2bpa11 ASN 129 HD22 -0.09 -0.08 -0.10 -0.04 7.74 7.43 2bpa11 ILE 130 H -0.41 0.50 -0.17 -0.55 8.25 7.63 2bpa11 ILE 130 HA -0.40 0.05 0.39 -0.75 4.18 3.47 2bpa11 ILE 130 HB -0.66 0.16 0.13 -0.04 1.89 1.48 2bpa11 ILE 130 HG12 -0.97 -0.06 -0.09 -0.04 1.49 0.33 2bpa11 ILE 130 HG13 -0.56 0.13 -0.01 -0.04 1.21 0.73 2bpa11 ILE 130 HG23 -0.78 -0.02 -0.22 -0.04 0.93 -0.12 2bpa11 ILE 130 HD13 -0.69 -0.04 -0.20 -0.04 0.88 -0.09 2bpa11 TYR 131 H -0.34 0.56 -0.09 -0.55 8.29 7.86 2bpa11 TYR 131 HA -0.09 0.00 0.42 -0.75 4.56 4.13 2bpa11 TYR 131 HB2 -0.66 0.02 0.09 -0.04 3.06 2.47 2bpa11 TYR 131 HB3 -0.22 0.05 0.19 -0.04 2.98 2.95 2bpa11 TYR 131 HD2 -0.10 0.01 -0.09 -0.04 7.15 6.93 2bpa11 TYR 131 HE2 0.05 0.08 -0.17 -0.04 6.85 6.77 2bpa11 ASN 132 H -0.02 0.77 0.05 -0.55 8.53 8.79 2bpa11 ASN 132 HA -0.10 0.01 0.48 -0.75 4.76 4.39 2bpa11 ASN 132 HB2 -0.07 0.16 0.16 -0.04 2.88 3.08 2bpa11 ASN 132 HB3 -0.07 -0.00 0.07 -0.04 2.79 2.75 2bpa11 ASN 132 HD21 0.05 0.14 0.23 -0.04 7.03 7.41 2bpa11 ASN 132 HD22 -0.03 0.08 0.01 -0.04 7.74 7.76 2bpa11 ASN 133 H -0.23 0.34 -0.35 -0.55 8.53 7.75 2bpa11 ASN 133 HA -0.36 0.12 0.79 -0.75 4.76 4.56 2bpa11 ASN 133 HB2 -0.42 0.15 0.12 -0.04 2.88 2.69 2bpa11 ASN 133 HB3 -1.03 -0.09 0.04 -0.04 2.79 1.67 2bpa11 ASN 133 HD21 -0.13 -0.03 0.08 -0.04 7.03 6.91 2bpa11 ASN 133 HD22 -0.18 0.83 0.25 -0.04 7.74 8.60 2bpa11 TYR 134 H -0.22 0.17 -0.03 -0.55 8.29 7.66 2bpa11 TYR 134 HA -0.30 0.21 0.84 -0.75 4.56 4.55 2bpa11 TYR 134 HB2 -0.65 0.06 -0.02 -0.04 3.06 2.40 2bpa11 TYR 134 HB3 -0.71 -0.05 0.02 -0.04 2.98 2.20 2bpa11 TYR 134 HD2 -0.26 0.07 0.02 -0.04 7.15 6.94 2bpa11 TYR 134 HE2 -0.06 -0.03 -0.01 -0.04 6.85 6.70 2bpa11 PHE 135 H -0.20 0.28 0.22 -0.55 8.34 8.08 2bpa11 PHE 135 HA -0.25 0.13 0.89 -0.75 4.62 4.65 2bpa11 PHE 135 HB2 -0.66 0.02 0.19 -0.04 3.15 2.65 2bpa11 PHE 135 HB3 -0.35 -0.06 0.01 -0.04 3.06 2.62 2bpa11 PHE 135 HD2 -0.24 0.09 -0.09 -0.04 7.28 7.00 2bpa11 PHE 135 HE2 -0.42 -0.03 -0.16 -0.04 7.38 6.73 2bpa11 PHE 135 HZ -1.84 -0.05 -0.18 -0.04 7.32 5.22 2bpa11 LYS 136 H -0.62 0.32 0.12 -0.55 8.42 7.69 2bpa11 LYS 136 HA -0.29 -0.01 0.44 -0.75 4.32 3.71 2bpa11 LYS 136 HB2 -0.18 -0.05 0.02 -0.04 1.87 1.62 2bpa11 LYS 136 HB3 -0.35 -0.10 0.02 -0.04 1.79 1.33 2bpa11 LYS 136 HG2 -0.27 0.01 -0.07 -0.04 1.46 1.08 2bpa11 LYS 136 HG3 -0.26 0.13 -0.75 -0.04 1.46 0.53 2bpa11 LYS 136 HD2 -0.11 0.02 -0.30 -0.04 1.69 1.25 2bpa11 LYS 136 HD3 -0.08 -0.23 -0.07 -0.04 1.68 1.26 2bpa11 LYS 136 HE2 -0.14 0.11 0.00 -0.04 2.99 2.91 2bpa11 LYS 136 HE3 -0.15 0.19 -0.07 -0.04 2.99 2.92 2bpa11 ALA 137 H -0.41 0.00 0.10 -0.55 8.40 7.55 2bpa11 ALA 137 HA -0.32 0.19 0.47 -0.75 4.34 3.92 2bpa11 ALA 137 HB3 -0.85 -0.01 0.08 -0.04 1.41 0.60 2bpa11 PRO 138 HA -0.15 0.14 0.33 -0.51 4.44 4.25 2bpa11 PRO 138 HB2 0.04 0.01 0.03 -0.04 2.28 2.31 2bpa11 PRO 138 HB3 -0.03 -0.05 0.03 -0.04 2.02 1.93 2bpa11 PRO 138 HG2 -0.00 0.05 0.06 -0.04 2.03 2.09 2bpa11 PRO 138 HG3 -0.09 0.09 0.04 -0.04 2.03 2.03 2bpa11 PRO 138 HD2 -0.10 0.06 0.17 -0.04 3.68 3.77 2bpa11 PRO 138 HD3 -0.16 0.22 0.20 -0.04 3.65 3.86 2bpa11 TRP 139 H -0.27 0.06 -0.26 -0.55 7.97 6.94 2bpa11 TRP 139 HA -0.01 0.10 0.41 -0.75 4.62 4.36 2bpa11 TRP 139 HB2 0.00 -0.08 0.09 -0.04 3.23 3.21 2bpa11 TRP 139 HB3 -0.01 0.04 0.06 -0.04 3.23 3.29 2bpa11 TRP 139 HD1 0.00 0.08 0.02 -0.04 7.22 7.28 2bpa11 TRP 139 HE1 0.01 0.15 -0.06 -0.04 10.20 10.25 2bpa11 TRP 139 HE3 0.02 0.01 -0.38 -0.04 7.59 7.19 2bpa11 TRP 139 HZ2 0.02 0.12 -0.10 -0.04 7.44 7.44 2bpa11 TRP 139 HZ3 0.03 -0.11 -0.05 -0.04 7.13 6.96 2bpa11 TRP 139 HH2 0.04 -0.13 -0.28 -0.04 7.19 6.77 2bpa11 MET 140 H -0.55 0.58 -0.34 -0.55 8.47 7.60 2bpa11 MET 140 HA 0.11 0.00 0.61 -0.75 4.52 4.48 2bpa11 MET 140 HB2 -0.19 0.08 -0.04 -0.04 2.15 1.96 2bpa11 MET 140 HB3 -0.09 -0.08 0.12 -0.04 2.03 1.94 2bpa11 MET 140 HG2 -1.14 -0.08 -0.02 -0.04 2.63 1.35 2bpa11 MET 140 HG3 -1.10 0.04 0.06 -0.04 2.56 1.51 2bpa11 MET 140 HE3 -0.48 0.02 0.02 -0.04 2.10 1.62 2bpa11 PRO 141 HA 0.02 0.08 0.49 -0.51 4.44 4.52 2bpa11 PRO 141 HB2 0.03 0.08 0.02 -0.04 2.28 2.37 2bpa11 PRO 141 HB3 0.05 -0.01 0.12 -0.04 2.02 2.13 2bpa11 PRO 141 HG2 0.03 0.02 0.05 -0.04 2.03 2.09 2bpa11 PRO 141 HG3 0.05 -0.03 0.08 -0.04 2.03 2.09 2bpa11 PRO 141 HD2 0.06 0.01 0.22 -0.04 3.68 3.93 2bpa11 PRO 141 HD3 0.12 0.14 0.21 -0.04 3.65 4.08 2bpa11 ASP 142 H 0.00 0.03 0.13 -0.55 8.40 8.02 2bpa11 ASP 142 HA 0.02 0.14 0.35 -0.75 4.63 4.38 2bpa11 ASP 142 HB2 -0.00 -0.08 -0.03 -0.04 2.71 2.56 2bpa11 ASP 142 HB3 0.00 0.07 -0.15 -0.04 2.70 2.59 2bpa11 ARG 143 H 0.10 0.18 0.15 -0.55 8.46 8.33 2bpa11 ARG 143 HA 0.02 0.05 0.57 -0.75 4.34 4.23 2bpa11 ARG 143 HB2 0.19 0.03 0.20 -0.04 1.90 2.29 2bpa11 ARG 143 HB3 0.13 -0.08 0.03 -0.04 1.80 1.84 2bpa11 ARG 143 HG2 0.12 0.10 -0.04 -0.04 1.67 1.81 2bpa11 ARG 143 HG3 -0.03 0.01 0.02 -0.04 1.67 1.62 2bpa11 ARG 143 HD2 -0.15 0.00 0.03 -0.04 3.22 3.06 2bpa11 ARG 143 HD3 -0.09 0.07 -0.02 -0.04 3.22 3.14 2bpa11 THR 144 H 0.02 0.16 0.07 -0.55 8.28 7.98 2bpa11 THR 144 HA 0.02 0.22 0.63 -0.75 4.39 4.50 2bpa11 THR 144 HB 0.02 0.15 -0.15 -0.04 4.32 4.30 2bpa11 THR 144 HG23 0.02 -0.02 0.02 -0.04 1.22 1.20 2bpa11 GLU 145 H 0.12 0.10 -0.13 -0.55 8.60 8.14 2bpa11 GLU 145 HA 0.09 0.05 0.48 -0.75 4.29 4.16 2bpa11 GLU 145 HB2 0.37 0.01 -0.06 -0.04 2.09 2.37 2bpa11 GLU 145 HB3 0.18 -0.01 -0.06 -0.04 1.99 2.07 2bpa11 GLU 145 HG2 0.05 0.03 -0.12 -0.04 2.34 2.26 2bpa11 GLU 145 HG3 0.04 0.03 -0.03 -0.04 2.34 2.35 2bpa11 ALA 146 H 0.10 0.09 0.19 -0.55 8.40 8.23 2bpa11 ALA 146 HA 0.17 0.22 0.60 -0.75 4.34 4.57 2bpa11 ALA 146 HB3 0.07 0.00 0.09 -0.04 1.41 1.54 2bpa11 ASN 147 H 0.07 0.14 0.07 -0.55 8.53 8.27 2bpa11 ASN 147 HA -0.13 0.27 0.93 -0.75 4.76 5.07 2bpa11 ASN 147 HB2 -0.06 -0.06 0.03 -0.04 2.88 2.75 2bpa11 ASN 147 HB3 -0.13 0.33 0.26 -0.04 2.79 3.22 2bpa11 ASN 147 HD21 0.03 0.08 -0.14 -0.04 7.03 6.95 2bpa11 ASN 147 HD22 0.03 -0.19 -0.30 -0.04 7.74 7.24 2bpa11 PRO 148 HA -0.44 0.07 0.36 -0.51 4.44 3.92 2bpa11 PRO 148 HB2 -0.14 0.03 -0.02 -0.04 2.28 2.11 2bpa11 PRO 148 HB3 -0.03 0.08 0.08 -0.04 2.02 2.10 2bpa11 PRO 148 HG2 -0.27 0.05 -0.21 -0.04 2.03 1.55 2bpa11 PRO 148 HG3 -0.83 0.04 -0.03 -0.04 2.03 1.17 2bpa11 PRO 148 HD2 -0.31 0.13 0.06 -0.04 3.68 3.52 2bpa11 PRO 148 HD3 -0.93 0.15 0.11 -0.04 3.65 2.93 2bpa11 ASN 149 H -0.13 0.57 -0.17 -0.55 8.53 8.25 2bpa11 ASN 149 HA -0.01 0.02 0.32 -0.75 4.76 4.33 2bpa11 ASN 149 HB2 -0.02 -0.04 0.02 -0.04 2.88 2.80 2bpa11 ASN 149 HB3 -0.04 -0.00 -0.37 -0.04 2.79 2.33 2bpa11 ASN 149 HD21 -0.03 -0.06 -0.07 -0.04 7.03 6.83 2bpa11 ASN 149 HD22 -0.04 0.06 -0.20 -0.04 7.74 7.52 2bpa11 GLU 150 H -0.06 0.48 -0.56 -0.55 8.60 7.92 2bpa11 GLU 150 HA -0.01 0.14 0.72 -0.75 4.29 4.38 2bpa11 GLU 150 HB2 0.01 0.03 0.03 -0.04 2.09 2.12 2bpa11 GLU 150 HB3 -0.00 -0.03 0.16 -0.04 1.99 2.08 2bpa11 GLU 150 HG2 0.00 0.04 0.01 -0.04 2.34 2.35 2bpa11 GLU 150 HG3 -0.01 0.01 0.02 -0.04 2.34 2.33 2bpa11 LEU 151 H -0.06 0.63 -0.06 -0.55 8.37 8.33 2bpa11 LEU 151 HA -0.09 0.09 0.77 -0.75 4.35 4.36 2bpa11 LEU 151 HB2 -0.17 0.09 0.10 -0.04 1.64 1.61 2bpa11 LEU 151 HB3 -0.21 -0.11 0.04 -0.04 1.64 1.32 2bpa11 LEU 151 HG -0.08 0.07 0.12 -0.04 1.64 1.70 2bpa11 LEU 151 HD13 -0.49 0.00 -0.08 -0.04 0.93 0.32 2bpa11 LEU 151 HD23 0.04 -0.01 -0.09 -0.04 0.89 0.78 2bpa11 ASN 152 H -0.11 0.07 0.18 -0.55 8.53 8.13 2bpa11 ASN 152 HA -0.01 0.19 0.41 -0.75 4.76 4.59 2bpa11 ASN 152 HB2 -0.02 -0.32 -0.04 -0.04 2.88 2.45 2bpa11 ASN 152 HB3 -0.01 0.11 0.16 -0.04 2.79 3.01 2bpa11 ASN 152 HD21 -0.05 0.08 0.06 -0.04 7.03 7.07 2bpa11 ASN 152 HD22 -0.02 0.04 0.07 -0.04 7.74 7.79 2bpa11 GLN 153 H 0.01 0.18 0.17 -0.55 8.47 8.29 2bpa11 GLN 153 HA -0.31 0.16 0.32 -0.75 4.36 3.77 2bpa11 GLN 153 HB2 -0.05 0.04 0.01 -0.04 2.15 2.11 2bpa11 GLN 153 HB3 0.12 0.06 0.09 -0.04 2.02 2.26 2bpa11 GLN 153 HG2 0.03 -0.05 0.16 -0.04 2.40 2.49 2bpa11 GLN 153 HG3 0.03 -0.01 -0.04 -0.04 2.39 2.33 2bpa11 GLN 153 HE21 0.04 0.04 -0.01 -0.04 6.97 7.00 2bpa11 GLN 153 HE22 0.07 -0.03 -0.00 -0.04 7.69 7.69 2bpa11 ASP 154 H -0.00 0.05 -0.18 -0.55 8.40 7.72 2bpa11 ASP 154 HA 0.05 0.16 0.55 -0.75 4.63 4.64 2bpa11 ASP 154 HB2 0.13 -0.03 0.05 -0.04 2.71 2.82 2bpa11 ASP 154 HB3 0.25 0.09 -0.02 -0.04 2.70 2.98 2bpa11 ASP 155 H -0.10 0.03 -0.26 -0.55 8.40 7.53 2bpa11 ASP 155 HA -0.01 0.33 0.34 -0.75 4.63 4.54 2bpa11 ASP 155 HB2 -0.21 -0.06 0.10 -0.04 2.71 2.51 2bpa11 ASP 155 HB3 -0.20 0.05 -0.10 -0.04 2.70 2.41 2bpa11 ALA 156 H -0.30 0.50 -0.19 -0.55 8.40 7.86 2bpa11 ALA 156 HA -0.81 0.04 0.36 -0.75 4.34 3.18 2bpa11 ALA 156 HB3 -0.40 0.04 -0.01 -0.04 1.41 1.00 2bpa11 ARG 157 H -0.45 0.29 -0.27 -0.55 8.46 7.48 2bpa11 ARG 157 HA -0.26 0.25 0.90 -0.75 4.34 4.47 2bpa11 ARG 157 HB2 -1.22 0.05 0.14 -0.04 1.90 0.82 2bpa11 ARG 157 HB3 -1.09 -0.03 -0.03 -0.04 1.80 0.61 2bpa11 ARG 157 HG2 -0.34 -0.00 -0.12 -0.04 1.67 1.16 2bpa11 ARG 157 HG3 -0.69 -0.03 -0.03 -0.04 1.67 0.88 2bpa11 ARG 157 HD2 -0.32 -0.02 -0.04 -0.04 3.22 2.80 2bpa11 ARG 157 HD3 -0.15 -0.12 -0.06 -0.04 3.22 2.85 2bpa11 TYR 158 H -0.23 0.27 -0.10 -0.55 8.29 7.68 2bpa11 TYR 158 HA -0.07 0.17 0.79 -0.75 4.56 4.70 2bpa11 TYR 158 HB2 -0.13 0.19 0.09 -0.04 3.06 3.18 2bpa11 TYR 158 HB3 -0.16 -0.16 0.10 -0.04 2.98 2.72 2bpa11 TYR 158 HD2 -0.16 0.06 -0.03 -0.04 7.15 6.98 2bpa11 TYR 158 HE2 -0.08 -0.01 -0.08 -0.04 6.85 6.63 2bpa11 GLY 159 H 0.03 0.20 -0.10 -0.55 8.43 8.01 2bpa11 GLY 159 HA2 0.10 -0.03 0.40 -0.51 4.01 3.97 2bpa11 GLY 159 HA3 0.16 0.39 0.61 -0.51 4.01 4.67 2bpa11 PHE 160 H 0.27 0.20 0.19 -0.55 8.34 8.45 2bpa11 PHE 160 HA -0.08 -0.02 0.57 -0.75 4.62 4.34 2bpa11 PHE 160 HB2 -0.32 0.04 0.08 -0.04 3.15 2.91 2bpa11 PHE 160 HB3 -0.50 0.07 0.08 -0.04 3.06 2.68 2bpa11 PHE 160 HD2 -0.82 0.02 -0.09 -0.04 7.28 6.35 2bpa11 PHE 160 HE2 -0.32 -0.02 -0.07 -0.04 7.38 6.93 2bpa11 PHE 160 HZ 0.06 -0.03 -0.07 -0.04 7.32 7.25 2bpa11 ARG 161 H 0.08 0.02 0.16 -0.55 8.46 8.17 2bpa11 ARG 161 HA 0.15 0.09 0.48 -0.75 4.34 4.31 2bpa11 ARG 161 HB2 0.10 -0.07 0.05 -0.04 1.90 1.95 2bpa11 ARG 161 HB3 0.12 0.19 0.02 -0.04 1.80 2.09 2bpa11 ARG 161 HG2 0.15 -0.04 0.02 -0.04 1.67 1.76 2bpa11 ARG 161 HG3 0.08 -0.14 0.08 -0.04 1.67 1.65 2bpa11 ARG 161 HD2 0.10 -0.16 0.02 -0.04 3.22 3.14 2bpa11 ARG 161 HD3 0.05 -0.07 0.01 -0.04 3.22 3.17 2bpa11 CYS 162 H 0.12 0.53 0.37 -0.55 8.50 8.98 2bpa11 CYS 162 HA 0.15 0.12 0.62 -0.75 4.58 4.72 2bpa11 CYS 162 HB2 0.09 0.10 0.07 -0.04 2.97 3.20 2bpa11 CYS 162 HB3 0.14 0.02 0.10 -0.04 2.97 3.20 2bpa11 CYS 163 H 0.05 0.20 0.16 -0.55 8.50 8.35 2bpa11 CYS 163 HA 0.03 0.23 0.84 -0.75 4.58 4.92 2bpa11 CYS 163 HB2 -0.00 0.05 0.02 -0.04 2.97 2.99 2bpa11 CYS 163 HB3 0.02 0.05 0.11 -0.04 2.97 3.10 2bpa11 HIS 164 H 0.11 0.53 0.28 -0.55 8.41 8.80 2bpa11 HIS 164 HA 0.07 -0.01 0.42 -0.75 4.63 4.36 2bpa11 HIS 164 HB2 -0.10 0.07 0.15 -0.04 3.26 3.35 2bpa11 HIS 164 HB3 -0.12 0.13 -0.00 -0.04 3.20 3.17 2bpa11 HIS 164 HD2 0.12 0.24 -0.11 -0.04 6.97 7.18 2bpa11 HIS 164 HE1 0.39 -0.04 -0.04 -0.04 7.75 8.01 2bpa11 LEU 165 H 0.19 0.06 0.13 -0.55 8.37 8.21 2bpa11 LEU 165 HA 0.05 0.04 0.49 -0.75 4.35 4.17 2bpa11 LEU 165 HB2 0.12 -0.04 0.10 -0.04 1.64 1.78 2bpa11 LEU 165 HB3 0.08 0.00 0.08 -0.04 1.64 1.76 2bpa11 LEU 165 HG 0.11 -0.00 -0.02 -0.04 1.64 1.68 2bpa11 LEU 165 HD13 0.12 -0.02 -0.13 -0.04 0.93 0.86 2bpa11 LEU 165 HD23 0.02 0.02 -0.10 -0.04 0.89 0.79 2bpa11 LYS 166 H 0.01 0.08 0.10 -0.55 8.42 8.06 2bpa11 LYS 166 HA -0.10 -0.01 0.32 -0.75 4.32 3.78 2bpa11 LYS 166 HB2 -0.01 -0.04 0.03 -0.04 1.87 1.81 2bpa11 LYS 166 HB3 -0.05 0.08 0.02 -0.04 1.79 1.79 2bpa11 LYS 166 HG2 -0.01 0.10 0.02 -0.04 1.46 1.53 2bpa11 LYS 166 HG3 0.00 -0.05 0.09 -0.04 1.46 1.46 2bpa11 LYS 166 HD2 0.00 -0.03 0.01 -0.04 1.69 1.63 2bpa11 LYS 166 HD3 -0.00 0.05 0.01 -0.04 1.68 1.70 2bpa11 LYS 166 HE2 0.01 0.00 0.01 -0.04 2.99 2.97 2bpa11 LYS 166 HE3 -0.00 0.05 -0.00 -0.04 2.99 2.99 2bpa11 ASN 167 H -0.22 0.18 0.10 -0.55 8.53 8.03 2bpa11 ASN 167 HA -0.27 0.20 0.63 -0.75 4.76 4.56 2bpa11 ASN 167 HB2 -0.68 0.16 0.07 -0.04 2.88 2.38 2bpa11 ASN 167 HB3 -0.70 -0.43 -0.00 -0.04 2.79 1.61 2bpa11 ASN 167 HD21 0.04 0.18 0.08 -0.04 7.03 7.29 2bpa11 ASN 167 HD22 -1.50 -0.04 0.04 -0.04 7.74 6.20 2bpa11 ILE 168 H -0.80 0.16 0.09 -0.55 8.25 7.15 2bpa11 ILE 168 HA -0.22 0.19 0.47 -0.75 4.18 3.87 2bpa11 ILE 168 HB -0.73 0.04 0.04 -0.04 1.89 1.19 2bpa11 ILE 168 HG12 0.18 0.00 -0.16 -0.04 1.49 1.48 2bpa11 ILE 168 HG13 0.01 0.05 -0.01 -0.04 1.21 1.22 2bpa11 ILE 168 HG23 0.18 0.00 -0.01 -0.04 0.93 1.06 2bpa11 ILE 168 HD13 0.13 -0.00 -0.12 -0.04 0.88 0.84 2bpa11 TRP 169 H -0.11 0.04 -0.05 -0.55 7.97 7.29 2bpa11 TRP 169 HA -0.42 0.16 0.36 -0.75 4.62 3.97 2bpa11 TRP 169 HB2 -0.24 0.05 -0.03 -0.04 3.23 2.97 2bpa11 TRP 169 HB3 0.10 -0.04 -0.04 -0.04 3.23 3.20 2bpa11 TRP 169 HD1 0.04 -0.05 0.05 -0.04 7.22 7.22 2bpa11 TRP 169 HE1 0.16 0.04 0.06 -0.04 10.20 10.42 2bpa11 TRP 169 HE3 -0.09 -0.00 -0.31 -0.04 7.59 7.15 2bpa11 TRP 169 HZ2 0.04 0.06 -0.01 -0.04 7.44 7.48 2bpa11 TRP 169 HZ3 -0.04 0.19 -0.07 -0.04 7.13 7.17 2bpa11 TRP 169 HH2 -0.22 0.02 -0.01 -0.04 7.19 6.93 2bpa11 THR 170 H -0.84 -0.14 -0.26 -0.55 8.28 6.49 2bpa11 THR 170 HA -0.42 0.15 0.43 -0.75 4.39 3.79 2bpa11 THR 170 HB -0.95 -0.19 0.07 -0.04 4.32 3.21 2bpa11 THR 170 HG23 -0.22 0.08 -0.14 -0.04 1.22 0.90 2bpa11 ALA 171 H -0.19 0.20 -0.54 -0.55 8.40 7.33 2bpa11 ALA 171 HA 0.03 0.20 0.80 -0.75 4.34 4.62 2bpa11 ALA 171 HB3 -0.04 0.01 0.09 -0.04 1.41 1.43 2bpa11 PRO 172 HA 0.10 0.04 0.53 -0.51 4.44 4.60 2bpa11 PRO 172 HB2 0.16 -0.02 0.06 -0.04 2.28 2.44 2bpa11 PRO 172 HB3 0.16 -0.02 0.02 -0.04 2.02 2.14 2bpa11 PRO 172 HG2 0.08 0.04 -0.14 -0.04 2.03 1.96 2bpa11 PRO 172 HG3 0.03 -0.04 -0.04 -0.04 2.03 1.94 2bpa11 PRO 172 HD2 0.09 0.20 -0.34 -0.04 3.68 3.59 2bpa11 PRO 172 HD3 -0.05 0.25 -0.49 -0.04 3.65 3.33 2bpa11 LEU 173 H 0.05 0.62 0.32 -0.55 8.37 8.82 2bpa11 LEU 173 HA 0.05 0.08 0.44 -0.75 4.35 4.16 2bpa11 LEU 173 HB2 0.03 -0.05 -0.01 -0.04 1.64 1.57 2bpa11 LEU 173 HB3 0.10 0.01 0.05 -0.04 1.64 1.76 2bpa11 LEU 173 HG -0.02 -0.01 0.03 -0.04 1.64 1.61 2bpa11 LEU 173 HD13 -0.02 -0.05 -0.32 -0.04 0.93 0.50 2bpa11 LEU 173 HD23 -0.18 0.00 -0.01 -0.04 0.89 0.66 2bpa11 PRO 174 HA -0.71 0.10 0.40 -0.51 4.44 3.71 2bpa11 PRO 174 HB2 -0.07 -0.07 -0.01 -0.04 2.28 2.09 2bpa11 PRO 174 HB3 -0.02 -0.01 0.09 -0.04 2.02 2.04 2bpa11 PRO 174 HG2 0.10 0.39 0.09 -0.04 2.03 2.57 2bpa11 PRO 174 HG3 0.24 0.03 0.11 -0.04 2.03 2.36 2bpa11 PRO 174 HD2 0.16 0.02 0.10 -0.04 3.68 3.92 2bpa11 PRO 174 HD3 0.11 0.17 0.22 -0.04 3.65 4.11 2bpa11 PRO 175 HA -0.29 0.07 0.40 -0.51 4.44 4.12 2bpa11 PRO 175 HB2 -0.33 -0.01 0.07 -0.04 2.28 1.97 2bpa11 PRO 175 HB3 -0.32 -0.03 0.07 -0.04 2.02 1.70 2bpa11 PRO 175 HG2 -1.47 0.02 0.05 -0.04 2.03 0.58 2bpa11 PRO 175 HG3 -1.08 0.03 0.10 -0.04 2.03 1.03 2bpa11 PRO 175 HD2 -1.33 0.10 0.16 -0.04 3.68 2.57 2bpa11 PRO 175 HD3 -2.01 0.22 0.15 -0.04 3.65 1.97 2bpa11 GLU 176 H -0.17 0.11 -0.25 -0.55 8.60 7.75 2bpa11 GLU 176 HA -0.08 0.16 0.67 -0.75 4.29 4.28 2bpa11 GLU 176 HB2 -0.07 0.03 -0.02 -0.04 2.09 1.99 2bpa11 GLU 176 HB3 -0.05 -0.03 0.13 -0.04 1.99 2.00 2bpa11 GLU 176 HG2 -0.08 -0.06 -0.01 -0.04 2.34 2.14 2bpa11 GLU 176 HG3 -0.03 0.03 -0.00 -0.04 2.34 2.30 2bpa11 THR 177 H -0.09 0.50 -0.48 -0.55 8.28 7.65 2bpa11 THR 177 HA -0.11 -0.04 0.44 -0.75 4.39 3.92 2bpa11 THR 177 HB 0.00 -0.01 -0.02 -0.04 4.32 4.25 2bpa11 THR 177 HG23 0.12 -0.01 -0.17 -0.04 1.22 1.12 2bpa11 GLU 178 H -0.08 0.08 0.17 -0.55 8.60 8.22 2bpa11 GLU 178 HA -0.03 0.07 0.53 -0.75 4.29 4.10 2bpa11 GLU 178 HB2 -0.05 -0.03 0.13 -0.04 2.09 2.10 2bpa11 GLU 178 HB3 -0.02 0.10 0.08 -0.04 1.99 2.11 2bpa11 GLU 178 HG2 -0.04 -0.02 0.08 -0.04 2.34 2.32 2bpa11 GLU 178 HG3 -0.06 0.08 0.10 -0.04 2.34 2.42 2bpa11 LEU 179 H -0.01 0.10 0.20 -0.55 8.37 8.12 2bpa11 LEU 179 HA 0.02 0.19 0.75 -0.75 4.35 4.56 2bpa11 LEU 179 HB2 0.00 -0.07 0.06 -0.04 1.64 1.59 2bpa11 LEU 179 HB3 0.01 0.04 0.14 -0.04 1.64 1.79 2bpa11 LEU 179 HG -0.00 0.07 -0.05 -0.04 1.64 1.61 2bpa11 LEU 179 HD13 -0.00 -0.02 -0.04 -0.04 0.93 0.83 2bpa11 LEU 179 HD23 0.01 0.10 -0.26 -0.04 0.89 0.71 2bpa11 SER 180 H -0.00 0.20 0.05 -0.55 8.46 8.15 2bpa11 SER 180 HA 0.01 0.18 0.46 -0.75 4.49 4.40 2bpa11 SER 180 HB2 0.00 -0.07 0.08 -0.04 3.95 3.92 2bpa11 SER 180 HB3 0.01 0.16 -0.08 -0.04 3.93 3.98 2bpa11 ARG 181 H -0.01 0.25 0.05 -0.55 8.46 8.19 2bpa11 ARG 181 HA -0.02 0.09 0.72 -0.75 4.34 4.38 2bpa11 ARG 181 HB2 -0.02 0.08 -0.23 -0.04 1.90 1.69 2bpa11 ARG 181 HB3 -0.05 -0.01 0.00 -0.04 1.80 1.71 2bpa11 ARG 181 HG2 -0.06 -0.02 -0.07 -0.04 1.67 1.49 2bpa11 ARG 181 HG3 -0.05 0.11 -0.15 -0.04 1.67 1.54 2bpa11 ARG 181 HD2 -0.03 -0.02 0.10 -0.04 3.22 3.23 2bpa11 ARG 181 HD3 -0.03 0.05 0.04 -0.04 3.22 3.24 2bpa11 GLN 182 H -0.03 0.15 0.10 -0.55 8.47 8.15 2bpa11 GLN 182 HA -0.03 0.19 0.83 -0.75 4.36 4.59 2bpa11 GLN 182 HB2 -0.02 -0.01 -0.08 -0.04 2.15 2.00 2bpa11 GLN 182 HB3 -0.02 0.03 -0.05 -0.04 2.02 1.94 2bpa11 GLN 182 HG2 -0.02 -0.06 -0.02 -0.04 2.40 2.27 2bpa11 GLN 182 HG3 -0.01 0.03 -0.03 -0.04 2.39 2.34 2bpa11 GLN 182 HE21 -0.01 0.04 -0.08 -0.04 6.97 6.88 2bpa11 GLN 182 HE22 -0.01 -0.01 -0.14 -0.04 7.69 7.48 2bpa11 MET 183 H -0.04 0.27 0.14 -0.55 8.47 8.29 2bpa11 MET 183 HA -0.05 0.16 0.78 -0.75 4.52 4.66 2bpa11 MET 183 HB2 -0.09 0.06 -0.00 -0.04 2.15 2.08 2bpa11 MET 183 HB3 -0.07 -0.01 0.06 -0.04 2.03 1.96 2bpa11 MET 183 HG2 -0.03 -0.04 -0.52 -0.04 2.63 2.00 2bpa11 MET 183 HG3 -0.03 0.05 -0.08 -0.04 2.56 2.45 2bpa11 MET 183 HE3 -0.01 -0.03 -0.06 -0.04 2.10 1.96 2bpa11 THR 184 H -0.02 0.18 0.06 -0.55 8.28 7.95 2bpa11 THR 184 HA -0.01 0.09 0.62 -0.75 4.39 4.33 2bpa11 THR 184 HB -0.01 0.02 0.07 -0.04 4.32 4.36 2bpa11 THR 184 HG23 -0.01 0.00 0.08 -0.04 1.22 1.25 2bpa11 THR 185 H -0.01 0.21 0.27 -0.55 8.28 8.20 2bpa11 THR 185 HA -0.01 -0.02 0.71 -0.75 4.39 4.32 2bpa11 THR 185 HB -0.01 0.04 0.10 -0.04 4.32 4.42 2bpa11 THR 185 HG23 -0.00 0.07 -0.16 -0.04 1.22 1.09 2bpa11 SER 186 H -0.00 0.17 0.27 -0.55 8.46 8.35 2bpa11 SER 186 HA -0.00 0.17 0.67 -0.75 4.49 4.58 2bpa11 SER 186 HB2 0.00 0.02 0.08 -0.04 3.95 4.01 2bpa11 SER 186 HB3 0.00 -0.01 0.06 -0.04 3.93 3.94 2bpa11 THR 187 H 0.00 0.09 0.15 -0.55 8.28 7.98 2bpa11 THR 187 HA 0.00 0.16 0.32 -0.75 4.39 4.11 2bpa11 THR 187 HB 0.00 -0.04 0.13 -0.04 4.32 4.37 2bpa11 THR 187 HG23 0.00 0.00 -0.20 -0.04 1.22 0.98 2bpa11 THR 188 H 0.00 0.03 -0.11 -0.55 8.28 7.66 2bpa11 THR 188 HA 0.00 0.25 0.69 -0.75 4.39 4.57 2bpa11 THR 188 HB 0.00 -0.00 0.16 -0.04 4.32 4.44 2bpa11 THR 188 HG23 0.00 0.01 -0.13 -0.04 1.22 1.06 2bpa11 SER 189 H 0.00 0.44 -0.13 -0.55 8.46 8.23 2bpa11 SER 189 HA 0.01 0.12 0.48 -0.75 4.49 4.35 2bpa11 SER 189 HB2 0.00 0.06 0.08 -0.04 3.95 4.05 2bpa11 SER 189 HB3 0.00 0.16 0.07 -0.04 3.93 4.12 2bpa11 ILE 190 H 0.01 0.35 0.22 -0.55 8.25 8.27 2bpa11 ILE 190 HA 0.00 0.06 0.61 -0.75 4.18 4.10 2bpa11 ILE 190 HB 0.01 0.11 -0.04 -0.04 1.89 1.93 2bpa11 ILE 190 HG12 0.02 0.05 -0.10 -0.04 1.49 1.41 2bpa11 ILE 190 HG13 0.01 -0.05 -0.28 -0.04 1.21 0.85 2bpa11 ILE 190 HG23 0.01 -0.00 -0.01 -0.04 0.93 0.89 2bpa11 ILE 190 HD13 -0.00 0.02 -0.01 -0.04 0.88 0.84 2bpa11 ASP 191 H 0.00 0.23 0.09 -0.55 8.40 8.18 2bpa11 ASP 191 HA 0.01 0.17 0.82 -0.75 4.63 4.88 2bpa11 ASP 191 HB2 0.01 0.13 0.08 -0.04 2.71 2.88 2bpa11 ASP 191 HB3 0.00 0.06 0.23 -0.04 2.70 2.95 2bpa11 ILE 192 H 0.01 0.33 0.13 -0.55 8.25 8.18 2bpa11 ILE 192 HA 0.03 0.11 0.41 -0.75 4.18 3.98 2bpa11 ILE 192 HB 0.02 -0.05 0.16 -0.04 1.89 1.98 2bpa11 ILE 192 HG12 0.02 0.07 0.07 -0.04 1.49 1.60 2bpa11 ILE 192 HG13 0.02 0.07 0.05 -0.04 1.21 1.30 2bpa11 ILE 192 HG23 0.02 0.03 -0.01 -0.04 0.93 0.92 2bpa11 ILE 192 HD13 0.03 -0.02 -0.04 -0.04 0.88 0.81 2bpa11 MET 193 H 0.02 0.05 -0.22 -0.55 8.47 7.77 2bpa11 MET 193 HA 0.03 0.15 0.48 -0.75 4.52 4.42 2bpa11 MET 193 HB2 0.01 -0.03 0.06 -0.04 2.15 2.15 2bpa11 MET 193 HB3 0.02 0.08 0.02 -0.04 2.03 2.10 2bpa11 MET 193 HG2 0.02 0.07 -0.00 -0.04 2.63 2.67 2bpa11 MET 193 HG3 0.01 -0.08 0.01 -0.04 2.56 2.46 2bpa11 MET 193 HE3 0.01 0.01 -0.00 -0.04 2.10 2.08 2bpa11 GLY 194 H 0.01 0.04 -0.17 -0.55 8.43 7.77 2bpa11 GLY 194 HA2 0.01 0.09 0.49 -0.51 4.01 4.09 2bpa11 GLY 194 HA3 0.00 0.05 0.33 -0.51 4.01 3.88 2bpa11 LEU 195 H 0.02 0.54 -0.14 -0.55 8.37 8.24 2bpa11 LEU 195 HA -0.04 0.05 0.40 -0.75 4.35 4.01 2bpa11 LEU 195 HB2 0.02 -0.03 0.05 -0.04 1.64 1.64 2bpa11 LEU 195 HB3 0.06 0.15 0.11 -0.04 1.64 1.93 2bpa11 LEU 195 HG 0.22 0.03 -0.19 -0.04 1.64 1.66 2bpa11 LEU 195 HD13 -0.13 -0.01 0.03 -0.04 0.93 0.78 2bpa11 LEU 195 HD23 0.10 0.00 -0.03 -0.04 0.89 0.92 2bpa11 GLN 196 H 0.07 0.29 -0.27 -0.55 8.47 8.01 2bpa11 GLN 196 HA 0.19 0.05 0.37 -0.75 4.36 4.21 2bpa11 GLN 196 HB2 0.06 0.07 0.20 -0.04 2.15 2.43 2bpa11 GLN 196 HB3 0.05 0.08 0.09 -0.04 2.02 2.19 2bpa11 GLN 196 HG2 0.03 -0.02 0.03 -0.04 2.40 2.40 2bpa11 GLN 196 HG3 0.04 0.00 -0.03 -0.04 2.39 2.36 2bpa11 GLN 196 HE21 -0.03 0.02 0.01 -0.04 6.97 6.94 2bpa11 GLN 196 HE22 0.00 0.01 0.01 -0.04 7.69 7.67 2bpa11 ALA 197 H 0.04 0.35 -0.26 -0.55 8.40 7.99 2bpa11 ALA 197 HA 0.04 0.02 0.45 -0.75 4.34 4.10 2bpa11 ALA 197 HB3 0.02 0.06 0.14 -0.04 1.41 1.59 2bpa11 ALA 198 H 0.00 0.56 -0.20 -0.55 8.40 8.21 2bpa11 ALA 198 HA -0.04 -0.03 0.42 -0.75 4.34 3.94 2bpa11 ALA 198 HB3 -0.14 0.07 0.14 -0.04 1.41 1.44 2bpa11 TYR 199 H 0.08 0.48 -0.21 -0.55 8.29 8.08 2bpa11 TYR 199 HA 0.03 0.01 0.39 -0.75 4.56 4.24 2bpa11 TYR 199 HB2 0.02 0.17 0.18 -0.04 3.06 3.38 2bpa11 TYR 199 HB3 0.03 -0.02 0.00 -0.04 2.98 2.95 2bpa11 TYR 199 HD2 0.03 0.00 -0.05 -0.04 7.15 7.09 2bpa11 TYR 199 HE2 0.02 -0.02 -0.05 -0.04 6.85 6.77 2bpa11 ALA 200 H 0.11 0.32 -0.18 -0.55 8.40 8.11 2bpa11 ALA 200 HA 0.07 0.01 0.41 -0.75 4.34 4.07 2bpa11 ALA 200 HB3 0.03 0.00 0.13 -0.04 1.41 1.53 2bpa11 ASN 201 H 0.05 0.62 -0.05 -0.55 8.53 8.60 2bpa11 ASN 201 HA 0.05 0.02 0.44 -0.75 4.76 4.51 2bpa11 ASN 201 HB2 0.01 0.07 0.14 -0.04 2.88 3.06 2bpa11 ASN 201 HB3 0.02 -0.04 0.04 -0.04 2.79 2.77 2bpa11 ASN 201 HD21 0.03 -0.03 -0.01 -0.04 7.03 6.97 2bpa11 ASN 201 HD22 0.04 -0.00 -0.04 -0.04 7.74 7.69 2bpa11 LEU 202 H 0.04 0.61 -0.04 -0.55 8.37 8.43 2bpa11 LEU 202 HA 0.00 -0.02 0.40 -0.75 4.35 3.98 2bpa11 LEU 202 HB2 -0.01 -0.02 0.09 -0.04 1.64 1.67 2bpa11 LEU 202 HB3 0.07 0.12 0.13 -0.04 1.64 1.92 2bpa11 LEU 202 HG 0.04 -0.00 -0.24 -0.04 1.64 1.40 2bpa11 LEU 202 HD13 -0.02 -0.02 0.02 -0.04 0.93 0.87 2bpa11 LEU 202 HD23 0.07 0.00 -0.07 -0.04 0.89 0.85 2bpa11 HIS 203 H 0.18 0.51 -0.37 -0.55 8.41 8.18 2bpa11 HIS 203 HA 0.06 0.01 0.35 -0.75 4.63 4.30 2bpa11 HIS 203 HB2 0.06 0.09 0.13 -0.04 3.26 3.51 2bpa11 HIS 203 HB3 0.04 0.10 0.12 -0.04 3.20 3.42 2bpa11 HIS 203 HD2 0.07 0.00 0.00 -0.04 6.97 7.00 2bpa11 HIS 203 HE1 0.03 0.01 -0.04 -0.04 7.75 7.71 2bpa11 THR 204 H 0.15 0.46 -0.06 -0.55 8.28 8.28 2bpa11 THR 204 HA 0.08 0.01 0.44 -0.75 4.39 4.17 2bpa11 THR 204 HB 0.07 -0.05 0.10 -0.04 4.32 4.41 2bpa11 THR 204 HG23 0.09 0.09 0.09 -0.04 1.22 1.45 2bpa11 ASP 205 H -0.00 0.37 -0.32 -0.55 8.40 7.89 2bpa11 ASP 205 HA -0.05 -0.00 0.46 -0.75 4.63 4.28 2bpa11 ASP 205 HB2 -0.04 0.09 0.23 -0.04 2.71 2.95 2bpa11 ASP 205 HB3 -0.08 -0.03 0.03 -0.04 2.70 2.57 2bpa11 GLN 206 H -0.12 0.86 0.11 -0.55 8.47 8.78 2bpa11 GLN 206 HA -0.49 -0.03 0.36 -0.75 4.36 3.44 2bpa11 GLN 206 HB2 -0.14 0.08 0.19 -0.04 2.15 2.24 2bpa11 GLN 206 HB3 -0.15 -0.03 0.02 -0.04 2.02 1.81 2bpa11 GLN 206 HG2 -0.20 -0.06 0.06 -0.04 2.40 2.16 2bpa11 GLN 206 HG3 -0.08 0.17 0.08 -0.04 2.39 2.52 2bpa11 GLN 206 HE21 0.09 0.00 -0.07 -0.04 6.97 6.96 2bpa11 GLN 206 HE22 0.02 0.00 -0.04 -0.04 7.69 7.64 2bpa11 GLU 207 H -0.17 0.69 -0.15 -0.55 8.60 8.42 2bpa11 GLU 207 HA -0.16 0.00 0.41 -0.75 4.29 3.79 2bpa11 GLU 207 HB2 0.00 0.11 0.13 -0.04 2.09 2.28 2bpa11 GLU 207 HB3 0.17 -0.04 -0.08 -0.04 1.99 2.00 2bpa11 GLU 207 HG2 0.49 -0.04 0.01 -0.04 2.34 2.77 2bpa11 GLU 207 HG3 -0.15 0.05 0.03 -0.04 2.34 2.24 2bpa11 ARG 208 H -0.08 0.48 -0.15 -0.55 8.46 8.15 2bpa11 ARG 208 HA 0.00 0.03 0.38 -0.75 4.34 4.00 2bpa11 ARG 208 HB2 -0.06 0.09 0.13 -0.04 1.90 2.02 2bpa11 ARG 208 HB3 -0.01 0.00 0.04 -0.04 1.80 1.79 2bpa11 ARG 208 HG2 0.02 -0.10 0.10 -0.04 1.67 1.65 2bpa11 ARG 208 HG3 -0.01 0.25 0.17 -0.04 1.67 2.04 2bpa11 ARG 208 HD2 0.02 -0.04 0.01 -0.04 3.22 3.17 2bpa11 ARG 208 HD3 0.05 0.00 0.03 -0.04 3.22 3.26 2bpa11 ASP 209 H -0.26 0.55 -0.19 -0.55 8.40 7.95 2bpa11 ASP 209 HA -0.13 -0.02 0.37 -0.75 4.63 4.10 2bpa11 ASP 209 HB2 -0.26 -0.04 0.03 -0.04 2.71 2.39 2bpa11 ASP 209 HB3 -0.65 0.13 0.17 -0.04 2.70 2.32 2bpa11 TYR 210 H -0.62 0.51 0.02 -0.55 8.29 7.64 2bpa11 TYR 210 HA -0.22 0.08 0.59 -0.75 4.56 4.26 2bpa11 TYR 210 HB2 -1.73 0.01 0.07 -0.04 3.06 1.36 2bpa11 TYR 210 HB3 -0.83 -0.03 -0.03 -0.04 2.98 2.04 2bpa11 TYR 210 HD2 -0.33 -0.00 -0.08 -0.04 7.15 6.70 2bpa11 TYR 210 HE2 -0.10 -0.03 -0.03 -0.04 6.85 6.65 2bpa11 PHE 211 H -0.31 0.49 0.03 -0.55 8.34 7.99 2bpa11 PHE 211 HA 0.07 0.21 0.99 -0.75 4.62 5.13 2bpa11 PHE 211 HB2 0.03 0.00 -0.18 -0.04 3.15 2.96 2bpa11 PHE 211 HB3 0.03 -0.03 0.06 -0.04 3.06 3.09 2bpa11 PHE 211 HD2 0.04 0.06 -0.09 -0.04 7.28 7.25 2bpa11 PHE 211 HE2 0.00 -0.02 -0.05 -0.04 7.38 7.27 2bpa11 PHE 211 HZ 0.05 -0.02 -0.05 -0.04 7.32 7.26 2bpa11 MET 212 H 0.05 0.40 0.10 -0.55 8.47 8.48 2bpa11 MET 212 HA 0.08 0.14 0.95 -0.75 4.52 4.94 2bpa11 MET 212 HB2 0.07 -0.02 0.09 -0.04 2.15 2.25 2bpa11 MET 212 HB3 0.06 -0.09 -0.00 -0.04 2.03 1.96 2bpa11 MET 212 HG2 0.11 0.09 -0.35 -0.04 2.63 2.44 2bpa11 MET 212 HG3 0.23 -0.00 -0.35 -0.04 2.56 2.40 2bpa11 MET 212 HE3 0.07 0.01 -0.17 -0.04 2.10 1.97 2bpa11 GLN 213 H 0.04 0.19 -0.10 -0.55 8.47 8.05 2bpa11 GLN 213 HA 0.03 0.11 0.53 -0.75 4.36 4.28 2bpa11 GLN 213 HB2 0.04 -0.02 -0.03 -0.04 2.15 2.10 2bpa11 GLN 213 HB3 0.04 0.01 -0.04 -0.04 2.02 1.99 2bpa11 GLN 213 HG2 0.02 -0.02 -0.09 -0.04 2.40 2.26 2bpa11 GLN 213 HG3 0.03 0.16 -0.06 -0.04 2.39 2.48 2bpa11 GLN 213 HE21 0.17 -0.19 0.02 -0.04 6.97 6.92 2bpa11 GLN 213 HE22 0.06 0.65 0.15 -0.04 7.69 8.51 2bpa11 ARG 214 H 0.03 0.06 -0.14 -0.55 8.46 7.85 2bpa11 ARG 214 HA 0.04 0.14 0.71 -0.75 4.34 4.48 2bpa11 ARG 214 HB2 -0.00 0.05 0.11 -0.04 1.90 2.01 2bpa11 ARG 214 HB3 0.00 -0.23 0.01 -0.04 1.80 1.54 2bpa11 ARG 214 HG2 -0.05 -0.02 0.03 -0.04 1.67 1.59 2bpa11 ARG 214 HG3 -0.02 0.01 0.07 -0.04 1.67 1.69 2bpa11 ARG 214 HD2 -0.08 0.10 -0.00 -0.04 3.22 3.19 2bpa11 ARG 214 HD3 -0.06 -0.06 -0.01 -0.04 3.22 3.05 2bpa11 TYR 215 H 0.16 0.25 0.13 -0.55 8.29 8.28 2bpa11 TYR 215 HA 0.02 0.09 0.35 -0.75 4.56 4.27 2bpa11 TYR 215 HB2 -0.01 0.08 0.12 -0.04 3.06 3.21 2bpa11 TYR 215 HB3 -0.01 -0.01 0.13 -0.04 2.98 3.05 2bpa11 TYR 215 HD2 -0.00 0.01 -0.10 -0.04 7.15 7.01 2bpa11 TYR 215 HE2 -0.02 -0.01 -0.08 -0.04 6.85 6.69 2bpa11 ARG 216 H 0.10 0.15 -0.18 -0.55 8.46 7.99 2bpa11 ARG 216 HA -0.15 0.02 0.31 -0.75 4.34 3.77 2bpa11 ARG 216 HB2 0.02 0.02 0.04 -0.04 1.90 1.94 2bpa11 ARG 216 HB3 0.08 -0.00 0.04 -0.04 1.80 1.87 2bpa11 ARG 216 HG2 0.01 -0.08 -0.03 -0.04 1.67 1.53 2bpa11 ARG 216 HG3 0.01 0.06 -0.17 -0.04 1.67 1.53 2bpa11 ARG 216 HD2 0.05 -0.00 -0.04 -0.04 3.22 3.19 2bpa11 ARG 216 HD3 0.03 -0.02 -0.03 -0.04 3.22 3.17 2bpa11 ASP 217 H -0.01 0.21 -0.40 -0.55 8.40 7.65 2bpa11 ASP 217 HA 0.00 0.07 0.58 -0.75 4.63 4.53 2bpa11 ASP 217 HB2 0.03 -0.00 0.16 -0.04 2.71 2.85 2bpa11 ASP 217 HB3 0.05 0.11 0.08 -0.04 2.70 2.91 2bpa11 VAL 218 H -0.04 0.44 -0.09 -0.55 8.24 8.00 2bpa11 VAL 218 HA 0.07 0.06 0.40 -0.75 4.13 3.91 2bpa11 VAL 218 HB -0.12 0.11 0.13 -0.04 2.12 2.21 2bpa11 VAL 218 HG13 0.14 -0.02 -0.11 -0.04 0.97 0.93 2bpa11 VAL 218 HG23 0.06 0.03 -0.03 -0.04 0.95 0.96 2bpa11 ILE 219 H -0.21 0.46 -0.34 -0.55 8.25 7.61 2bpa11 ILE 219 HA 0.03 0.03 0.55 -0.75 4.18 4.03 2bpa11 ILE 219 HB -0.21 0.11 -0.03 -0.04 1.89 1.72 2bpa11 ILE 219 HG12 -0.53 -0.01 -0.10 -0.04 1.49 0.82 2bpa11 ILE 219 HG13 -0.89 -0.03 -0.11 -0.04 1.21 0.14 2bpa11 ILE 219 HG23 -0.07 -0.01 -0.31 -0.04 0.93 0.51 2bpa11 ILE 219 HD13 -0.22 -0.01 -0.07 -0.04 0.88 0.55 2bpa11 SER 220 H -0.01 0.43 -0.11 -0.55 8.46 8.22 2bpa11 SER 220 HA 0.03 0.29 0.45 -0.75 4.49 4.51 2bpa11 SER 220 HB2 0.01 0.07 0.01 -0.04 3.95 4.01 2bpa11 SER 220 HB3 0.02 -0.04 0.12 -0.04 3.93 3.99 2bpa11 SER 221 H 0.06 0.36 -0.53 -0.55 8.46 7.80 2bpa11 SER 221 HA -0.01 0.03 0.40 -0.75 4.49 4.15 2bpa11 SER 221 HB2 -0.02 -0.07 0.06 -0.04 3.95 3.88 2bpa11 SER 221 HB3 0.04 0.14 0.13 -0.04 3.93 4.20 2bpa11 PHE 222 H 0.29 0.30 -0.34 -0.55 8.34 8.04 2bpa11 PHE 222 HA 0.00 0.04 0.49 -0.75 4.62 4.40 2bpa11 PHE 222 HB2 -0.02 0.07 0.13 -0.04 3.15 3.29 2bpa11 PHE 222 HB3 -0.01 -0.07 0.08 -0.04 3.06 3.03 2bpa11 PHE 222 HD2 -0.01 0.20 0.06 -0.04 7.28 7.49 2bpa11 PHE 222 HE2 0.01 -0.03 -0.02 -0.04 7.38 7.30 2bpa11 PHE 222 HZ 0.02 -0.04 -0.02 -0.04 7.32 7.24 2bpa11 GLY 223 H 0.08 0.43 -0.68 -0.55 8.43 7.72 2bpa11 GLY 223 HA2 0.03 0.06 0.33 -0.51 4.01 3.92 2bpa11 GLY 223 HA3 0.05 0.03 0.64 -0.51 4.01 4.22 2bpa11 GLY 224 H 0.08 0.44 -0.01 -0.55 8.43 8.39 2bpa11 GLY 224 HA2 0.03 0.19 0.87 -0.51 4.01 4.60 2bpa11 GLY 224 HA3 0.03 -0.04 0.24 -0.51 4.01 3.73 2bpa11 LYS 225 H 0.02 0.18 0.16 -0.55 8.42 8.22 2bpa11 LYS 225 HA 0.02 0.23 0.72 -0.75 4.32 4.53 2bpa11 LYS 225 HB2 0.03 -0.04 -0.04 -0.04 1.87 1.78 2bpa11 LYS 225 HB3 0.03 0.10 0.02 -0.04 1.79 1.90 2bpa11 LYS 225 HG2 0.02 0.00 -0.11 -0.04 1.46 1.34 2bpa11 LYS 225 HG3 0.02 -0.05 -0.04 -0.04 1.46 1.35 2bpa11 LYS 225 HD2 0.02 0.00 -0.05 -0.04 1.69 1.63 2bpa11 LYS 225 HD3 0.03 -0.04 -0.06 -0.04 1.68 1.57 2bpa11 LYS 225 HE2 0.03 -0.02 -0.04 -0.04 2.99 2.92 2bpa11 LYS 225 HE3 0.03 0.03 -0.05 -0.04 2.99 2.96 2bpa11 THR 226 H 0.04 0.29 0.11 -0.55 8.28 8.17 2bpa11 THR 226 HA 0.04 0.11 0.85 -0.75 4.39 4.64 2bpa11 THR 226 HB 0.04 0.05 -0.08 -0.04 4.32 4.29 2bpa11 THR 226 HG23 0.01 -0.01 0.04 -0.04 1.22 1.22 2bpa11 SER 227 H 0.03 0.11 0.15 -0.55 8.46 8.20 2bpa11 SER 227 HA 0.03 0.20 0.46 -0.75 4.49 4.43 2bpa11 SER 227 HB2 -0.16 0.04 0.17 -0.04 3.95 3.96 2bpa11 SER 227 HB3 -0.03 0.12 0.14 -0.04 3.93 4.11 2bpa11 TYR 228 H -0.07 0.22 0.20 -0.55 8.29 8.09 2bpa11 TYR 228 HA 0.11 0.15 0.41 -0.75 4.56 4.47 2bpa11 TYR 228 HB2 0.20 0.41 0.15 -0.04 3.06 3.78 2bpa11 TYR 228 HB3 0.15 0.04 0.10 -0.04 2.98 3.23 2bpa11 TYR 228 HD2 0.24 0.04 -0.06 -0.04 7.15 7.33 2bpa11 TYR 228 HE2 0.10 -0.01 -0.00 -0.04 6.85 6.90 2bpa11 ASP 229 H -0.24 -0.02 -0.34 -0.55 8.40 7.24 2bpa11 ASP 229 HA 0.08 0.17 0.54 -0.75 4.63 4.67 2bpa11 ASP 229 HB2 -0.11 -0.05 0.01 -0.04 2.71 2.53 2bpa11 ASP 229 HB3 -0.01 0.06 -0.06 -0.04 2.70 2.65 2bpa11 ALA 230 H -0.01 0.11 -0.32 -0.55 8.40 7.64 2bpa11 ALA 230 HA -0.00 0.06 0.37 -0.75 4.34 4.01 2bpa11 ALA 230 HB3 0.08 0.03 0.06 -0.04 1.41 1.55 2bpa11 ASP 231 H 0.04 0.16 -0.35 -0.55 8.40 7.70 2bpa11 ASP 231 HA -0.05 0.19 0.76 -0.75 4.63 4.77 2bpa11 ASP 231 HB2 0.03 0.02 0.12 -0.04 2.71 2.83 2bpa11 ASP 231 HB3 0.14 -0.07 -0.13 -0.04 2.70 2.61 2bpa11 ASN 232 H -0.10 0.12 -0.43 -0.55 8.53 7.57 2bpa11 ASN 232 HA -0.63 0.00 0.37 -0.75 4.76 3.74 2bpa11 ASN 232 HB2 -0.16 -0.00 -0.57 -0.04 2.88 2.11 2bpa11 ASN 232 HB3 -0.19 0.03 0.34 -0.04 2.79 2.93 2bpa11 ASN 232 HD21 -0.14 -0.01 0.09 -0.04 7.03 6.93 2bpa11 ASN 232 HD22 -0.14 0.03 0.06 -0.04 7.74 7.65 2bpa11 ARG 233 H 0.18 0.30 0.10 -0.55 8.46 8.48 2bpa11 ARG 233 HA 0.03 0.29 0.96 -0.75 4.34 4.87 2bpa11 ARG 233 HB2 0.05 0.14 0.05 -0.04 1.90 2.10 2bpa11 ARG 233 HB3 0.00 0.01 -0.08 -0.04 1.80 1.69 2bpa11 ARG 233 HG2 0.20 -0.16 0.06 -0.04 1.67 1.74 2bpa11 ARG 233 HG3 0.27 0.00 -0.12 -0.04 1.67 1.78 2bpa11 ARG 233 HD2 0.15 0.12 -0.03 -0.04 3.22 3.43 2bpa11 ARG 233 HD3 0.07 -0.03 -0.04 -0.04 3.22 3.17 2bpa11 PRO 234 HA -0.08 0.11 0.57 -0.51 4.44 4.54 2bpa11 PRO 234 HB2 -0.15 -0.01 -0.10 -0.04 2.28 1.98 2bpa11 PRO 234 HB3 -0.16 -0.01 -0.03 -0.04 2.02 1.78 2bpa11 PRO 234 HG2 -0.24 0.01 -0.36 -0.04 2.03 1.41 2bpa11 PRO 234 HG3 -0.15 0.01 -0.09 -0.04 2.03 1.76 2bpa11 PRO 234 HD2 0.09 0.12 0.12 -0.04 3.68 3.97 2bpa11 PRO 234 HD3 -0.03 0.24 0.20 -0.04 3.65 4.03 2bpa11 LEU 235 H -0.17 0.44 0.37 -0.55 8.37 8.46 2bpa11 LEU 235 HA 0.02 0.09 0.70 -0.75 4.35 4.41 2bpa11 LEU 235 HB2 -0.80 -0.02 0.11 -0.04 1.64 0.88 2bpa11 LEU 235 HB3 -0.31 -0.01 0.23 -0.04 1.64 1.51 2bpa11 LEU 235 HG -0.06 0.03 -0.38 -0.04 1.64 1.19 2bpa11 LEU 235 HD13 0.10 -0.01 0.02 -0.04 0.93 1.00 2bpa11 LEU 235 HD23 0.21 -0.02 -0.01 -0.04 0.89 1.03 2bpa11 LEU 236 H -0.03 0.20 0.15 -0.55 8.37 8.14 2bpa11 LEU 236 HA -0.65 0.08 0.67 -0.75 4.35 3.69 2bpa11 LEU 236 HB2 -0.34 0.04 0.10 -0.04 1.64 1.39 2bpa11 LEU 236 HB3 -0.21 -0.00 0.13 -0.04 1.64 1.52 2bpa11 LEU 236 HG -0.66 0.03 -0.07 -0.04 1.64 0.90 2bpa11 LEU 236 HD13 -0.15 -0.00 -0.16 -0.04 0.93 0.57 2bpa11 LEU 236 HD23 -0.78 -0.01 -0.09 -0.04 0.89 -0.04 2bpa11 VAL 237 H -0.33 0.63 0.46 -0.55 8.24 8.44 2bpa11 VAL 237 HA -0.13 0.08 0.66 -0.75 4.13 3.99 2bpa11 VAL 237 HB -0.28 0.18 0.12 -0.04 2.12 2.09 2bpa11 VAL 237 HG13 -0.24 -0.02 -0.14 -0.04 0.97 0.54 2bpa11 VAL 237 HG23 -0.71 -0.00 -0.11 -0.04 0.95 0.09 2bpa11 MET 238 H -0.19 0.31 0.28 -0.55 8.47 8.32 2bpa11 MET 238 HA -0.09 0.19 0.72 -0.75 4.52 4.59 2bpa11 MET 238 HB2 -0.09 0.12 -0.11 -0.04 2.15 2.03 2bpa11 MET 238 HB3 -0.05 -0.10 -0.08 -0.04 2.03 1.75 2bpa11 MET 238 HG2 -0.34 0.04 -0.27 -0.04 2.63 2.02 2bpa11 MET 238 HG3 -0.06 -0.04 -0.42 -0.04 2.56 2.00 2bpa11 MET 238 HE3 -0.07 -0.08 0.09 -0.04 2.10 1.99 2bpa11 ARG 239 H -0.08 0.28 0.17 -0.55 8.46 8.27 2bpa11 ARG 239 HA -0.13 0.31 0.96 -0.75 4.34 4.73 2bpa11 ARG 239 HB2 -0.14 0.02 -0.14 -0.04 1.90 1.60 2bpa11 ARG 239 HB3 -0.13 -0.04 0.01 -0.04 1.80 1.61 2bpa11 ARG 239 HG2 -0.36 -0.03 -0.41 -0.04 1.67 0.83 2bpa11 ARG 239 HG3 -1.00 0.08 -0.01 -0.04 1.67 0.70 2bpa11 ARG 239 HD2 0.08 0.01 -0.09 -0.04 3.22 3.17 2bpa11 ARG 239 HD3 -0.10 -0.03 -0.09 -0.04 3.22 2.96 2bpa11 SER 240 H -0.19 0.64 0.38 -0.55 8.46 8.75 2bpa11 SER 240 HA -0.09 0.21 1.12 -0.75 4.49 4.97 2bpa11 SER 240 HB2 -0.03 -0.07 0.02 -0.04 3.95 3.83 2bpa11 SER 240 HB3 -0.03 0.07 0.08 -0.04 3.93 4.01 2bpa11 ASN 241 H -0.14 0.26 0.28 -0.55 8.53 8.39 2bpa11 ASN 241 HA -0.31 0.56 1.08 -0.75 4.76 5.34 2bpa11 ASN 241 HB2 -0.24 0.02 -0.16 -0.04 2.88 2.46 2bpa11 ASN 241 HB3 -0.15 -0.03 0.08 -0.04 2.79 2.65 2bpa11 ASN 241 HD21 -0.50 -0.07 -0.05 -0.04 7.03 6.37 2bpa11 ASN 241 HD22 -0.34 0.12 -0.03 -0.04 7.74 7.44 2bpa11 LEU 242 H -0.37 0.53 0.43 -0.55 8.37 8.41 2bpa11 LEU 242 HA -0.13 0.07 0.49 -0.75 4.35 4.03 2bpa11 LEU 242 HB2 -0.02 -0.01 0.22 -0.04 1.64 1.79 2bpa11 LEU 242 HB3 -0.10 0.14 -0.19 -0.04 1.64 1.45 2bpa11 LEU 242 HG -0.01 0.02 -0.05 -0.04 1.64 1.56 2bpa11 LEU 242 HD13 -0.24 -0.00 -0.24 -0.04 0.93 0.41 2bpa11 LEU 242 HD23 -0.10 0.02 -0.38 -0.04 0.89 0.40 2bpa11 TRP 243 H 0.14 0.18 0.18 -0.55 7.97 7.92 2bpa11 TRP 243 HA -0.05 0.38 0.97 -0.75 4.62 5.17 2bpa11 TRP 243 HB2 -0.00 -0.07 0.13 -0.04 3.23 3.25 2bpa11 TRP 243 HB3 0.01 0.04 -0.02 -0.04 3.23 3.21 2bpa11 TRP 243 HD1 -0.01 -0.03 -0.03 -0.04 7.22 7.11 2bpa11 TRP 243 HE1 -0.00 0.00 -0.07 -0.04 10.20 10.09 2bpa11 TRP 243 HE3 0.02 0.07 -0.68 -0.04 7.59 6.95 2bpa11 TRP 243 HZ2 0.02 -0.01 -0.05 -0.04 7.44 7.36 2bpa11 TRP 243 HZ3 0.07 0.14 -0.01 -0.04 7.13 7.29 2bpa11 TRP 243 HH2 0.06 -0.02 -0.03 -0.04 7.19 7.16 2bpa11 ALA 244 H 0.10 0.63 0.25 -0.55 8.40 8.83 2bpa11 ALA 244 HA 0.07 0.07 0.76 -0.75 4.34 4.49 2bpa11 ALA 244 HB3 -0.02 0.01 -0.05 -0.04 1.41 1.30 2bpa11 SER 245 H 0.09 0.18 0.12 -0.55 8.46 8.31 2bpa11 SER 245 HA 0.10 0.15 0.71 -0.75 4.49 4.70 2bpa11 SER 245 HB2 0.10 0.04 -0.21 -0.04 3.95 3.84 2bpa11 SER 245 HB3 0.09 0.04 0.09 -0.04 3.93 4.11 2bpa11 GLY 246 H 0.09 0.27 0.20 -0.55 8.43 8.45 2bpa11 GLY 246 HA2 0.16 0.08 0.53 -0.51 4.01 4.27 2bpa11 GLY 246 HA3 0.07 0.35 0.89 -0.51 4.01 4.80 2bpa11 TYR 247 H -0.16 0.61 0.44 -0.55 8.29 8.63 2bpa11 TYR 247 HA 0.03 0.12 0.85 -0.75 4.56 4.80 2bpa11 TYR 247 HB2 0.03 0.02 0.16 -0.04 3.06 3.22 2bpa11 TYR 247 HB3 0.03 0.02 -0.11 -0.04 2.98 2.88 2bpa11 TYR 247 HD2 0.04 0.14 -0.04 -0.04 7.15 7.25 2bpa11 TYR 247 HE2 0.04 -0.02 -0.03 -0.04 6.85 6.80 2bpa11 ASP 248 H 0.14 0.14 0.21 -0.55 8.40 8.34 2bpa11 ASP 248 HA -0.02 0.16 0.69 -0.75 4.63 4.71 2bpa11 ASP 248 HB2 0.05 0.00 0.05 -0.04 2.71 2.77 2bpa11 ASP 248 HB3 0.14 0.05 -0.13 -0.04 2.70 2.71 2bpa11 VAL 249 H 0.07 0.56 0.34 -0.55 8.24 8.66 2bpa11 VAL 249 HA 0.19 0.09 0.82 -0.75 4.13 4.48 2bpa11 VAL 249 HB 0.03 0.01 0.17 -0.04 2.12 2.30 2bpa11 VAL 249 HG13 0.08 -0.00 -0.08 -0.04 0.97 0.93 2bpa11 VAL 249 HG23 0.04 0.02 -0.08 -0.04 0.95 0.88 2bpa11 ASP 250 H 0.15 0.16 0.12 -0.55 8.40 8.28 2bpa11 ASP 250 HA 0.05 0.15 0.73 -0.75 4.63 4.81 2bpa11 ASP 250 HB2 0.10 -0.05 0.16 -0.04 2.71 2.88 2bpa11 ASP 250 HB3 0.05 0.11 0.01 -0.04 2.70 2.83 2bpa11 GLY 251 H -0.28 0.69 0.40 -0.55 8.43 8.69 2bpa11 GLY 251 HA2 -0.05 0.00 0.53 -0.51 4.01 3.98 2bpa11 GLY 251 HA3 -0.11 0.10 0.31 -0.51 4.01 3.79 2bpa11 THR 252 H -0.03 0.04 0.10 -0.55 8.28 7.84 2bpa11 THR 252 HA -0.04 0.20 0.69 -0.75 4.39 4.48 2bpa11 THR 252 HB -0.01 0.01 0.08 -0.04 4.32 4.36 2bpa11 THR 252 HG23 -0.00 0.06 -0.30 -0.04 1.22 0.93 2bpa11 ASP 253 H -0.04 -0.00 -0.00 -0.55 8.40 7.81 2bpa11 ASP 253 HA -0.01 0.22 0.69 -0.75 4.63 4.78 2bpa11 ASP 253 HB2 -0.01 -0.04 0.19 -0.04 2.71 2.81 2bpa11 ASP 253 HB3 -0.01 0.08 0.07 -0.04 2.70 2.80 2bpa11 GLN 254 H -0.01 0.15 0.15 -0.55 8.47 8.22 2bpa11 GLN 254 HA -0.01 0.14 0.32 -0.75 4.36 4.05 2bpa11 GLN 254 HB2 -0.01 0.03 0.12 -0.04 2.15 2.25 2bpa11 GLN 254 HB3 -0.01 -0.06 0.15 -0.04 2.02 2.06 2bpa11 GLN 254 HG2 -0.01 0.01 -0.35 -0.04 2.40 2.01 2bpa11 GLN 254 HG3 -0.01 0.04 -0.03 -0.04 2.39 2.35 2bpa11 GLN 254 HE21 -0.00 0.01 0.00 -0.04 6.97 6.94 2bpa11 GLN 254 HE22 -0.01 -0.05 0.02 -0.04 7.69 7.62 2bpa11 THR 255 H -0.02 -0.03 -0.20 -0.55 8.28 7.48 2bpa11 THR 255 HA -0.02 0.26 0.77 -0.75 4.39 4.64 2bpa11 THR 255 HB -0.01 0.03 0.00 -0.04 4.32 4.30 2bpa11 THR 255 HG23 -0.01 -0.04 0.03 -0.04 1.22 1.16 2bpa11 SER 256 H -0.04 -0.09 -0.28 -0.55 8.46 7.50 2bpa11 SER 256 HA -0.07 0.37 0.85 -0.75 4.49 4.89 2bpa11 SER 256 HB2 -0.07 0.07 0.10 -0.04 3.95 4.00 2bpa11 SER 256 HB3 -0.04 0.01 -0.15 -0.04 3.93 3.70 2bpa11 LEU 257 H -0.06 0.31 -0.42 -0.55 8.37 7.65 2bpa11 LEU 257 HA -0.11 0.21 0.38 -0.75 4.35 4.07 2bpa11 LEU 257 HB2 -0.04 0.12 -0.11 -0.04 1.64 1.57 2bpa11 LEU 257 HB3 -0.04 0.05 0.06 -0.04 1.64 1.68 2bpa11 LEU 257 HG -0.03 -0.01 -0.09 -0.04 1.64 1.47 2bpa11 LEU 257 HD13 -0.03 -0.01 0.02 -0.04 0.93 0.88 2bpa11 LEU 257 HD23 -0.01 -0.00 -0.08 -0.04 0.89 0.75 2bpa11 GLY 258 H -0.31 0.22 0.29 -0.55 8.43 8.08 2bpa11 GLY 258 HA2 -0.07 -0.04 0.29 -0.51 4.01 3.68 2bpa11 GLY 258 HA3 -0.06 0.18 0.78 -0.51 4.01 4.40 2bpa11 GLN 259 H -0.40 0.24 0.18 -0.55 8.47 7.94 2bpa11 GLN 259 HA -0.20 0.15 0.92 -0.75 4.36 4.49 2bpa11 GLN 259 HB2 -0.13 -0.02 -0.12 -0.04 2.15 1.84 2bpa11 GLN 259 HB3 -0.18 0.10 0.15 -0.04 2.02 2.06 2bpa11 GLN 259 HG2 -0.08 0.07 -0.04 -0.04 2.40 2.31 2bpa11 GLN 259 HG3 -0.05 0.02 0.10 -0.04 2.39 2.42 2bpa11 GLN 259 HE21 -0.03 -0.07 -0.02 -0.04 6.97 6.81 2bpa11 GLN 259 HE22 -0.03 0.15 -0.02 -0.04 7.69 7.75 2bpa11 PHE 260 H 0.06 0.24 0.23 -0.55 8.34 8.32 2bpa11 PHE 260 HA -0.00 0.33 1.01 -0.75 4.62 5.20 2bpa11 PHE 260 HB2 -0.02 -0.08 -0.08 -0.04 3.15 2.94 2bpa11 PHE 260 HB3 -0.00 -0.05 -0.07 -0.04 3.06 2.90 2bpa11 PHE 260 HD2 0.01 0.00 -0.13 -0.04 7.28 7.12 2bpa11 PHE 260 HE2 0.02 0.07 -0.10 -0.04 7.38 7.33 2bpa11 PHE 260 HZ 0.02 -0.01 -0.09 -0.04 7.32 7.20 2bpa11 SER 261 H 0.12 0.42 0.28 -0.55 8.46 8.73 2bpa11 SER 261 HA 0.02 0.41 0.69 -0.75 4.49 4.85 2bpa11 SER 261 HB2 0.01 0.02 -0.14 -0.04 3.95 3.80 2bpa11 SER 261 HB3 0.01 -0.13 0.08 -0.04 3.93 3.85 2bpa11 GLY 262 H -0.02 0.79 0.22 -0.55 8.43 8.88 2bpa11 GLY 262 HA2 -0.05 -0.05 0.50 -0.51 4.01 3.90 2bpa11 GLY 262 HA3 -0.03 -0.00 0.24 -0.51 4.01 3.71 2bpa11 ARG 263 H -0.25 0.93 0.35 -0.55 8.46 8.94 2bpa11 ARG 263 HA -0.10 0.16 0.86 -0.75 4.34 4.51 2bpa11 ARG 263 HB2 -0.52 0.04 0.07 -0.04 1.90 1.44 2bpa11 ARG 263 HB3 -1.02 -0.14 0.27 -0.04 1.80 0.87 2bpa11 ARG 263 HG2 -0.09 0.02 -0.18 -0.04 1.67 1.38 2bpa11 ARG 263 HG3 -0.11 0.03 -0.02 -0.04 1.67 1.53 2bpa11 ARG 263 HD2 -0.02 -0.01 -0.03 -0.04 3.22 3.12 2bpa11 ARG 263 HD3 0.07 -0.05 -0.03 -0.04 3.22 3.16 2bpa11 VAL 264 H 0.02 0.26 0.03 -0.55 8.24 8.00 2bpa11 VAL 264 HA 0.05 0.10 0.59 -0.75 4.13 4.11 2bpa11 VAL 264 HB 0.09 -0.12 0.21 -0.04 2.12 2.26 2bpa11 VAL 264 HG13 0.08 0.03 -0.30 -0.04 0.97 0.74 2bpa11 VAL 264 HG23 0.11 -0.01 -0.22 -0.04 0.95 0.79 2bpa11 GLN 265 H 0.09 0.17 0.42 -0.55 8.47 8.60 2bpa11 GLN 265 HA 0.08 0.21 0.94 -0.75 4.36 4.84 2bpa11 GLN 265 HB2 0.13 -0.04 0.15 -0.04 2.15 2.34 2bpa11 GLN 265 HB3 0.09 -0.03 0.01 -0.04 2.02 2.04 2bpa11 GLN 265 HG2 0.09 0.06 -0.17 -0.04 2.40 2.34 2bpa11 GLN 265 HG3 0.15 -0.02 -0.08 -0.04 2.39 2.40 2bpa11 GLN 265 HE21 0.15 -0.02 -0.02 -0.04 6.97 7.05 2bpa11 GLN 265 HE22 0.33 -0.01 0.00 -0.04 7.69 7.97 2bpa11 GLN 266 H 0.08 0.51 0.22 -0.55 8.47 8.74 2bpa11 GLN 266 HA 0.07 0.12 1.00 -0.75 4.36 4.80 2bpa11 GLN 266 HB2 0.07 -0.00 -0.01 -0.04 2.15 2.16 2bpa11 GLN 266 HB3 0.07 -0.05 0.17 -0.04 2.02 2.17 2bpa11 GLN 266 HG2 0.05 -0.04 0.05 -0.04 2.40 2.42 2bpa11 GLN 266 HG3 0.08 0.05 -0.19 -0.04 2.39 2.29 2bpa11 GLN 266 HE21 0.06 -0.07 0.15 -0.04 6.97 7.07 2bpa11 GLN 266 HE22 0.07 0.41 0.12 -0.04 7.69 8.24 2bpa11 THR 267 H 0.05 0.15 0.18 -0.55 8.28 8.11 2bpa11 THR 267 HA -0.04 0.16 0.76 -0.75 4.39 4.52 2bpa11 THR 267 HB 0.01 -0.03 0.13 -0.04 4.32 4.38 2bpa11 THR 267 HG23 -0.06 0.01 -0.13 -0.04 1.22 1.00 2bpa11 TYR 268 H -0.23 0.65 0.38 -0.55 8.29 8.54 2bpa11 TYR 268 HA -0.03 0.17 0.76 -0.75 4.56 4.70 2bpa11 TYR 268 HB2 -0.06 -0.02 -0.05 -0.04 3.06 2.89 2bpa11 TYR 268 HB3 -0.06 0.04 -0.32 -0.04 2.98 2.60 2bpa11 TYR 268 HD2 -0.06 0.04 -0.36 -0.04 7.15 6.72 2bpa11 TYR 268 HE2 -0.08 0.01 -0.42 -0.04 6.85 6.33 2bpa11 LYS 269 H 0.16 0.25 0.04 -0.55 8.42 8.32 2bpa11 LYS 269 HA -0.02 0.34 0.83 -0.75 4.32 4.73 2bpa11 LYS 269 HB2 -0.06 0.07 -0.17 -0.04 1.87 1.67 2bpa11 LYS 269 HB3 -0.00 -0.04 0.02 -0.04 1.79 1.72 2bpa11 LYS 269 HG2 -0.02 -0.01 -0.26 -0.04 1.46 1.13 2bpa11 LYS 269 HG3 -0.06 0.02 -0.06 -0.04 1.46 1.32 2bpa11 LYS 269 HD2 -0.04 -0.02 -0.06 -0.04 1.69 1.53 2bpa11 LYS 269 HD3 -0.02 -0.02 -0.07 -0.04 1.68 1.53 2bpa11 LYS 269 HE2 -0.03 -0.01 -0.09 -0.04 2.99 2.81 2bpa11 LYS 269 HE3 -0.04 0.01 -0.13 -0.04 2.99 2.79 2bpa11 HIS 270 H 0.17 0.66 0.21 -0.55 8.41 8.90 2bpa11 HIS 270 HA 0.01 0.15 0.77 -0.75 4.63 4.81 2bpa11 HIS 270 HB2 0.09 0.01 -0.08 -0.04 3.26 3.24 2bpa11 HIS 270 HB3 0.12 -0.06 0.09 -0.04 3.20 3.30 2bpa11 HIS 270 HD2 0.13 -0.05 -0.24 -0.04 6.97 6.76 2bpa11 HIS 270 HE1 -0.10 0.09 -0.43 -0.04 7.75 7.27 2bpa11 SER 271 H -0.22 0.24 0.05 -0.55 8.46 7.98 2bpa11 SER 271 HA -0.12 0.28 1.30 -0.75 4.49 5.20 2bpa11 SER 271 HB2 -0.09 -0.02 0.10 -0.04 3.95 3.90 2bpa11 SER 271 HB3 -0.07 0.02 -0.16 -0.04 3.93 3.68 2bpa11 VAL 272 H -0.09 0.60 0.22 -0.55 8.24 8.42 2bpa11 VAL 272 HA -0.09 0.20 0.81 -0.75 4.13 4.31 2bpa11 VAL 272 HB 0.11 -0.15 0.13 -0.04 2.12 2.17 2bpa11 VAL 272 HG13 0.15 0.06 -0.19 -0.04 0.97 0.95 2bpa11 VAL 272 HG23 0.01 -0.02 -0.21 -0.04 0.95 0.69 2bpa11 PRO 273 HA 0.02 -0.04 0.46 -0.51 4.44 4.36 2bpa11 PRO 273 HB2 0.04 0.07 0.04 -0.04 2.28 2.39 2bpa11 PRO 273 HB3 0.01 -0.03 0.11 -0.04 2.02 2.06 2bpa11 PRO 273 HG2 0.04 0.09 0.08 -0.04 2.03 2.19 2bpa11 PRO 273 HG3 0.00 0.01 0.11 -0.04 2.03 2.11 2bpa11 PRO 273 HD2 -0.03 0.09 0.27 -0.04 3.68 3.98 2bpa11 PRO 273 HD3 -0.05 0.30 0.20 -0.04 3.65 4.06 2bpa11 ARG 274 H 0.06 -0.02 0.14 -0.55 8.46 8.09 2bpa11 ARG 274 HA 0.14 0.17 0.28 -0.75 4.34 4.18 2bpa11 ARG 274 HB2 0.06 -0.04 0.09 -0.04 1.90 1.96 2bpa11 ARG 274 HB3 0.06 -0.02 -0.03 -0.04 1.80 1.77 2bpa11 ARG 274 HG2 0.11 -0.03 -0.20 -0.04 1.67 1.51 2bpa11 ARG 274 HG3 0.15 0.00 -0.17 -0.04 1.67 1.60 2bpa11 ARG 274 HD2 -0.02 -0.01 -0.08 -0.04 3.22 3.07 2bpa11 ARG 274 HD3 -0.06 -0.01 -0.09 -0.04 3.22 3.02 2bpa11 PHE 275 H 0.29 0.23 0.30 -0.55 8.34 8.61 2bpa11 PHE 275 HA 0.07 0.10 0.83 -0.75 4.62 4.86 2bpa11 PHE 275 HB2 0.06 0.18 -0.09 -0.04 3.15 3.26 2bpa11 PHE 275 HB3 0.14 0.01 0.08 -0.04 3.06 3.24 2bpa11 PHE 275 HD2 -0.11 -0.02 -0.12 -0.04 7.28 6.99 2bpa11 PHE 275 HE2 -0.54 -0.06 -0.10 -0.04 7.38 6.64 2bpa11 PHE 275 HZ -0.57 -0.09 -0.03 -0.04 7.32 6.59 2bpa11 PHE 276 H -0.26 0.18 0.12 -0.55 8.34 7.82 2bpa11 PHE 276 HA -0.19 0.15 0.68 -0.75 4.62 4.50 2bpa11 PHE 276 HB2 -0.15 -0.01 0.01 -0.04 3.15 2.96 2bpa11 PHE 276 HB3 -0.28 -0.03 0.11 -0.04 3.06 2.82 2bpa11 PHE 276 HD2 -0.14 -0.01 -0.16 -0.04 7.28 6.93 2bpa11 PHE 276 HE2 -0.05 -0.00 -0.06 -0.04 7.38 7.23 2bpa11 PHE 276 HZ -0.03 -0.01 -0.02 -0.04 7.32 7.22 2bpa11 VAL 277 H -0.57 0.97 0.30 -0.55 8.24 8.39 2bpa11 VAL 277 HA -0.75 0.09 0.56 -0.75 4.13 3.28 2bpa11 VAL 277 HB -0.31 -0.03 0.16 -0.04 2.12 1.89 2bpa11 VAL 277 HG13 -0.17 -0.06 -0.34 -0.04 0.97 0.36 2bpa11 VAL 277 HG23 -0.06 0.02 -0.15 -0.04 0.95 0.73 2bpa11 PRO 278 HA -0.30 0.08 0.54 -0.51 4.44 4.26 2bpa11 PRO 278 HB2 0.11 -0.01 0.03 -0.04 2.28 2.37 2bpa11 PRO 278 HB3 0.11 0.05 0.05 -0.04 2.02 2.20 2bpa11 PRO 278 HG2 0.20 -0.08 0.12 -0.04 2.03 2.23 2bpa11 PRO 278 HG3 0.19 0.05 0.08 -0.04 2.03 2.31 2bpa11 PRO 278 HD2 -0.55 0.07 0.22 -0.04 3.68 3.38 2bpa11 PRO 278 HD3 -0.53 0.46 0.30 -0.04 3.65 3.84 2bpa11 GLU 279 H 0.13 0.22 -0.00 -0.55 8.60 8.41 2bpa11 GLU 279 HA 0.14 0.22 0.87 -0.75 4.29 4.77 2bpa11 GLU 279 HB2 0.16 0.01 -0.01 -0.04 2.09 2.22 2bpa11 GLU 279 HB3 0.28 0.01 0.16 -0.04 1.99 2.39 2bpa11 GLU 279 HG2 0.16 0.11 -0.26 -0.04 2.34 2.32 2bpa11 GLU 279 HG3 0.18 -0.04 -0.11 -0.04 2.34 2.32 2bpa11 HIS 280 H 0.57 0.10 0.13 -0.55 8.41 8.67 2bpa11 HIS 280 HA 0.07 0.14 0.31 -0.75 4.63 4.39 2bpa11 HIS 280 HB2 0.28 -0.11 0.11 -0.04 3.26 3.50 2bpa11 HIS 280 HB3 0.28 0.13 0.10 -0.04 3.20 3.66 2bpa11 HIS 280 HD2 0.27 0.08 0.05 -0.04 6.97 7.33 2bpa11 HIS 280 HE1 0.17 0.10 0.09 -0.04 7.75 8.07 2bpa11 GLY 281 H -0.08 0.72 0.39 -0.55 8.43 8.91 2bpa11 GLY 281 HA2 -1.47 -0.08 0.51 -0.51 4.01 2.46 2bpa11 GLY 281 HA3 -0.44 0.11 0.44 -0.51 4.01 3.61 2bpa11 THR 282 H -0.32 0.47 0.30 -0.55 8.28 8.19 2bpa11 THR 282 HA -0.16 0.15 0.84 -0.75 4.39 4.47 2bpa11 THR 282 HB -0.17 0.01 -0.14 -0.04 4.32 3.98 2bpa11 THR 282 HG23 -0.65 0.03 -0.26 -0.04 1.22 0.30 2bpa11 MET 283 H -0.21 0.44 0.18 -0.55 8.47 8.33 2bpa11 MET 283 HA -0.12 0.28 0.76 -0.75 4.52 4.69 2bpa11 MET 283 HB2 -0.33 0.01 0.01 -0.04 2.15 1.80 2bpa11 MET 283 HB3 -0.36 -0.09 0.20 -0.04 2.03 1.74 2bpa11 MET 283 HG2 -2.03 -0.04 -0.12 -0.04 2.63 0.40 2bpa11 MET 283 HG3 -0.90 0.02 -0.13 -0.04 2.56 1.51 2bpa11 MET 283 HE3 -0.09 0.00 -0.30 -0.04 2.10 1.67 2bpa11 PHE 284 H 0.24 0.54 0.21 -0.55 8.34 8.78 2bpa11 PHE 284 HA -0.02 0.20 0.93 -0.75 4.62 4.97 2bpa11 PHE 284 HB2 0.04 -0.06 0.03 -0.04 3.15 3.12 2bpa11 PHE 284 HB3 0.04 0.05 -0.11 -0.04 3.06 3.00 2bpa11 PHE 284 HD2 -0.04 0.04 -0.15 -0.04 7.28 7.09 2bpa11 PHE 284 HE2 -0.06 0.05 -0.04 -0.04 7.38 7.28 2bpa11 PHE 284 HZ -0.03 0.05 0.05 -0.04 7.32 7.35 2bpa11 THR 285 H 0.10 0.68 0.36 -0.55 8.28 8.88 2bpa11 THR 285 HA 0.15 0.38 1.17 -0.75 4.39 5.33 2bpa11 THR 285 HB 0.04 -0.05 0.12 -0.04 4.32 4.39 2bpa11 THR 285 HG23 0.10 -0.01 -0.20 -0.04 1.22 1.07 2bpa11 LEU 286 H 0.19 0.67 0.35 -0.55 8.37 9.04 2bpa11 LEU 286 HA 0.14 0.21 1.04 -0.75 4.35 4.98 2bpa11 LEU 286 HB2 0.15 -0.04 -0.09 -0.04 1.64 1.62 2bpa11 LEU 286 HB3 0.08 0.11 -0.14 -0.04 1.64 1.65 2bpa11 LEU 286 HG 0.20 -0.02 -0.56 -0.04 1.64 1.22 2bpa11 LEU 286 HD13 0.27 0.01 -0.26 -0.04 0.93 0.91 2bpa11 LEU 286 HD23 -0.03 0.01 -0.24 -0.04 0.89 0.59 2bpa11 ALA 287 H 0.13 0.59 0.36 -0.55 8.40 8.93 2bpa11 ALA 287 HA -0.06 0.29 1.06 -0.75 4.34 4.88 2bpa11 ALA 287 HB3 -0.11 -0.02 -0.05 -0.04 1.41 1.19 2bpa11 LEU 288 H -0.17 0.54 0.26 -0.55 8.37 8.46 2bpa11 LEU 288 HA -0.02 0.21 0.60 -0.75 4.35 4.39 2bpa11 LEU 288 HB2 0.06 0.01 -0.18 -0.04 1.64 1.49 2bpa11 LEU 288 HB3 0.18 -0.04 0.01 -0.04 1.64 1.75 2bpa11 LEU 288 HG 0.01 -0.01 -0.30 -0.04 1.64 1.30 2bpa11 LEU 288 HD13 0.04 0.02 -0.33 -0.04 0.93 0.61 2bpa11 LEU 288 HD23 0.19 -0.01 -0.12 -0.04 0.89 0.91 2bpa11 VAL 289 H -0.17 0.35 0.16 -0.55 8.24 8.02 2bpa11 VAL 289 HA -0.41 0.18 1.04 -0.75 4.13 4.18 2bpa11 VAL 289 HB -0.45 0.07 0.13 -0.04 2.12 1.83 2bpa11 VAL 289 HG13 -0.43 -0.01 -0.15 -0.04 0.97 0.33 2bpa11 VAL 289 HG23 -1.41 -0.03 -0.17 -0.04 0.95 -0.69 2bpa11 ARG 290 H -0.32 0.66 0.34 -0.55 8.46 8.59 2bpa11 ARG 290 HA -0.18 0.13 0.83 -0.75 4.34 4.37 2bpa11 ARG 290 HB2 -0.11 -0.04 -0.08 -0.04 1.90 1.63 2bpa11 ARG 290 HB3 0.00 0.03 -0.04 -0.04 1.80 1.75 2bpa11 ARG 290 HG2 -0.04 0.05 -0.13 -0.04 1.67 1.52 2bpa11 ARG 290 HG3 -0.07 -0.09 -0.61 -0.04 1.67 0.86 2bpa11 ARG 290 HD2 0.01 -0.02 -0.10 -0.04 3.22 3.07 2bpa11 ARG 290 HD3 0.02 0.03 -0.14 -0.04 3.22 3.09 2bpa11 PHE 291 H 0.09 0.17 0.14 -0.55 8.34 8.19 2bpa11 PHE 291 HA 0.17 0.15 0.95 -0.75 4.62 5.13 2bpa11 PHE 291 HB2 0.10 -0.06 0.07 -0.04 3.15 3.22 2bpa11 PHE 291 HB3 0.23 0.18 0.06 -0.04 3.06 3.49 2bpa11 PHE 291 HD2 -0.22 0.03 -0.06 -0.04 7.28 7.00 2bpa11 PHE 291 HE2 0.12 0.03 -0.04 -0.04 7.38 7.45 2bpa11 PHE 291 HZ 0.16 -0.01 -0.03 -0.04 7.32 7.40 2bpa11 PRO 292 HA 0.27 0.07 0.41 -0.51 4.44 4.67 2bpa11 PRO 292 HB2 0.26 -0.04 0.03 -0.04 2.28 2.50 2bpa11 PRO 292 HB3 0.25 0.04 0.08 -0.04 2.02 2.34 2bpa11 PRO 292 HG2 0.31 0.04 0.10 -0.04 2.03 2.43 2bpa11 PRO 292 HG3 0.55 0.04 0.09 -0.04 2.03 2.66 2bpa11 PRO 292 HD2 0.49 0.13 0.22 -0.04 3.68 4.48 2bpa11 PRO 292 HD3 0.56 0.19 0.33 -0.04 3.65 4.68 2bpa11 PRO 293 HA 0.34 0.17 0.48 -0.51 4.44 4.92 2bpa11 PRO 293 HB2 -0.05 -0.05 0.21 -0.04 2.28 2.34 2bpa11 PRO 293 HB3 -0.07 0.04 0.13 -0.04 2.02 2.07 2bpa11 PRO 293 HG2 -0.01 -0.07 0.04 -0.04 2.03 1.95 2bpa11 PRO 293 HG3 -0.07 0.38 0.07 -0.04 2.03 2.37 2bpa11 PRO 293 HD2 0.16 0.08 0.11 -0.04 3.68 3.98 2bpa11 PRO 293 HD3 0.19 0.05 0.23 -0.04 3.65 4.09 2bpa11 THR 294 H 0.28 0.56 -0.02 -0.55 8.28 8.55 2bpa11 THR 294 HA 0.14 0.01 0.48 -0.75 4.39 4.26 2bpa11 THR 294 HB 0.25 0.05 0.10 -0.04 4.32 4.68 2bpa11 THR 294 HG23 -0.41 -0.01 -0.27 -0.04 1.22 0.49 2bpa11 ALA 295 H 0.18 0.12 0.26 -0.55 8.40 8.40 2bpa11 ALA 295 HA 0.16 0.24 0.82 -0.75 4.34 4.80 2bpa11 ALA 295 HB3 0.31 -0.01 0.07 -0.04 1.41 1.73 2bpa11 THR 296 H 0.07 0.61 0.18 -0.55 8.28 8.60 2bpa11 THR 296 HA -0.22 0.09 0.48 -0.75 4.39 3.99 2bpa11 THR 296 HB -0.00 -0.05 0.04 -0.04 4.32 4.27 2bpa11 THR 296 HG23 0.27 0.07 -0.14 -0.04 1.22 1.38 2bpa11 LYS 297 H 0.07 -0.00 -0.28 -0.55 8.42 7.66 2bpa11 LYS 297 HA -0.06 0.32 0.93 -0.75 4.32 4.76 2bpa11 LYS 297 HB2 0.09 0.00 0.03 -0.04 1.87 1.95 2bpa11 LYS 297 HB3 0.04 -0.31 0.25 -0.04 1.79 1.73 2bpa11 LYS 297 HG2 -0.19 0.03 0.01 -0.04 1.46 1.27 2bpa11 LYS 297 HG3 -0.26 0.10 -0.23 -0.04 1.46 1.02 2bpa11 LYS 297 HD2 -0.05 -0.07 0.01 -0.04 1.69 1.54 2bpa11 LYS 297 HD3 -0.09 -0.07 -0.04 -0.04 1.68 1.44 2bpa11 LYS 297 HE2 -0.78 -0.00 -0.02 -0.04 2.99 2.15 2bpa11 LYS 297 HE3 -0.06 0.22 0.05 -0.04 2.99 3.17 2bpa11 GLU 298 H -0.07 0.15 -0.11 -0.55 8.60 8.02 2bpa11 GLU 298 HA -0.86 0.18 0.72 -0.75 4.29 3.58 2bpa11 GLU 298 HB2 -0.32 -0.11 0.17 -0.04 2.09 1.78 2bpa11 GLU 298 HB3 -0.10 0.04 0.12 -0.04 1.99 2.00 2bpa11 GLU 298 HG2 -0.12 0.19 -0.08 -0.04 2.34 2.28 2bpa11 GLU 298 HG3 -0.58 0.05 0.15 -0.04 2.34 1.92 2bpa11 ILE 299 H -0.25 0.64 0.15 -0.55 8.25 8.24 2bpa11 ILE 299 HA -0.05 0.12 0.71 -0.75 4.18 4.20 2bpa11 ILE 299 HB -0.07 0.01 -0.24 -0.04 1.89 1.55 2bpa11 ILE 299 HG12 -0.05 0.05 -0.33 -0.04 1.49 1.13 2bpa11 ILE 299 HG13 -0.06 -0.04 -0.30 -0.04 1.21 0.77 2bpa11 ILE 299 HG23 -0.06 0.02 -0.12 -0.04 0.93 0.73 2bpa11 ILE 299 HD13 -0.04 0.00 -0.14 -0.04 0.88 0.66 2bpa11 GLN 300 H -0.05 0.13 0.08 -0.55 8.47 8.08 2bpa11 GLN 300 HA 0.03 0.11 0.59 -0.75 4.36 4.34 2bpa11 GLN 300 HB2 -0.06 -0.06 0.17 -0.04 2.15 2.16 2bpa11 GLN 300 HB3 -0.02 -0.03 0.08 -0.04 2.02 2.02 2bpa11 GLN 300 HG2 -0.05 0.08 0.06 -0.04 2.40 2.46 2bpa11 GLN 300 HG3 -0.06 0.02 0.02 -0.04 2.39 2.33 2bpa11 GLN 300 HE21 -0.07 -0.01 0.00 -0.04 6.97 6.85 2bpa11 GLN 300 HE22 -0.10 0.03 -0.01 -0.04 7.69 7.57 2bpa11 TYR 301 H 0.21 0.19 0.18 -0.55 8.29 8.31 2bpa11 TYR 301 HA -0.08 0.29 0.35 -0.75 4.56 4.38 2bpa11 TYR 301 HB2 0.05 0.03 0.10 -0.04 3.06 3.21 2bpa11 TYR 301 HB3 0.01 -0.05 0.15 -0.04 2.98 3.04 2bpa11 TYR 301 HD2 -0.59 0.03 -0.08 -0.04 7.15 6.46 2bpa11 TYR 301 HE2 -0.89 -0.04 -0.04 -0.04 6.85 5.84 2bpa11 LEU 302 H -0.10 0.09 -0.15 -0.55 8.37 7.67 2bpa11 LEU 302 HA -0.52 0.09 0.41 -0.75 4.35 3.58 2bpa11 LEU 302 HB2 -0.13 -0.01 0.02 -0.04 1.64 1.48 2bpa11 LEU 302 HB3 -0.18 0.03 0.03 -0.04 1.64 1.48 2bpa11 LEU 302 HG -0.19 -0.06 0.02 -0.04 1.64 1.38 2bpa11 LEU 302 HD13 -0.10 0.02 -0.00 -0.04 0.93 0.81 2bpa11 LEU 302 HD23 -0.46 0.03 -0.06 -0.04 0.89 0.36 2bpa11 ASN 303 H -0.14 0.22 -0.35 -0.55 8.53 7.72 2bpa11 ASN 303 HA -0.12 0.11 0.60 -0.75 4.76 4.59 2bpa11 ASN 303 HB2 -0.09 0.01 0.11 -0.04 2.88 2.87 2bpa11 ASN 303 HB3 -0.09 -0.01 0.05 -0.04 2.79 2.70 2bpa11 ASN 303 HD21 -0.08 0.00 0.00 -0.04 7.03 6.91 2bpa11 ASN 303 HD22 -0.09 -0.03 0.04 -0.04 7.74 7.62 2bpa11 ALA 304 H -0.21 0.40 -0.24 -0.55 8.40 7.81 2bpa11 ALA 304 HA -0.11 0.14 0.85 -0.75 4.34 4.47 2bpa11 ALA 304 HB3 -0.08 0.04 -0.10 -0.04 1.41 1.24 2bpa11 LYS 305 H -0.38 0.36 -0.06 -0.55 8.42 7.78 2bpa11 LYS 305 HA -0.19 0.06 0.81 -0.75 4.32 4.25 2bpa11 LYS 305 HB2 -0.33 -0.08 0.05 -0.04 1.87 1.46 2bpa11 LYS 305 HB3 -0.48 -0.02 0.06 -0.04 1.79 1.31 2bpa11 LYS 305 HG2 -2.20 -0.13 -0.04 -0.04 1.46 -0.95 2bpa11 LYS 305 HG3 -0.82 0.24 0.21 -0.04 1.46 1.04 2bpa11 LYS 305 HD2 -0.67 -0.13 -0.01 -0.04 1.69 0.84 2bpa11 LYS 305 HD3 -0.40 0.17 0.07 -0.04 1.68 1.48 2bpa11 LYS 305 HE2 -0.26 0.02 -0.12 -0.04 2.99 2.59 2bpa11 LYS 305 HE3 -0.29 -0.07 -0.04 -0.04 2.99 2.56 2bpa11 GLY 306 H -0.12 0.09 0.01 -0.55 8.43 7.87 2bpa11 GLY 306 HA2 -0.09 -0.01 0.21 -0.51 4.01 3.62 2bpa11 GLY 306 HA3 -0.09 -0.14 0.38 -0.51 4.01 3.65 2bpa11 ALA 307 H -0.07 -0.02 0.12 -0.55 8.40 7.89 2bpa11 ALA 307 HA -0.06 0.04 0.43 -0.75 4.34 4.00 2bpa11 ALA 307 HB3 -0.03 -0.01 0.06 -0.04 1.41 1.39 2bpa11 LEU 308 H -0.05 0.10 0.20 -0.55 8.37 8.07 2bpa11 LEU 308 HA -0.09 0.10 0.75 -0.75 4.35 4.36 2bpa11 LEU 308 HB2 -0.03 -0.05 0.15 -0.04 1.64 1.67 2bpa11 LEU 308 HB3 -0.04 -0.05 0.04 -0.04 1.64 1.54 2bpa11 LEU 308 HG -0.10 0.07 0.08 -0.04 1.64 1.65 2bpa11 LEU 308 HD13 -0.07 -0.00 0.01 -0.04 0.93 0.82 2bpa11 LEU 308 HD23 -0.22 0.08 0.01 -0.04 0.89 0.72 2bpa11 THR 309 H -0.02 0.16 0.16 -0.55 8.28 8.03 2bpa11 THR 309 HA 0.05 0.21 0.65 -0.75 4.39 4.55 2bpa11 THR 309 HB 0.07 0.01 0.15 -0.04 4.32 4.51 2bpa11 THR 309 HG23 0.01 0.07 -0.01 -0.04 1.22 1.25 2bpa11 TYR 310 H 0.19 0.20 0.17 -0.55 8.29 8.29 2bpa11 TYR 310 HA 0.05 0.10 0.44 -0.75 4.56 4.39 2bpa11 TYR 310 HB2 0.03 0.06 0.14 -0.04 3.06 3.25 2bpa11 TYR 310 HB3 0.04 -0.03 0.15 -0.04 2.98 3.10 2bpa11 TYR 310 HD2 0.02 0.01 -0.08 -0.04 7.15 7.07 2bpa11 TYR 310 HE2 -0.01 0.02 -0.03 -0.04 6.85 6.79 2bpa11 THR 311 H 0.21 0.07 -0.11 -0.55 8.28 7.91 2bpa11 THR 311 HA 0.14 0.05 0.27 -0.75 4.39 4.09 2bpa11 THR 311 HB 0.20 -0.01 -0.02 -0.04 4.32 4.46 2bpa11 THR 311 HG23 0.36 0.02 -0.11 -0.04 1.22 1.44 2bpa11 ASP 312 H 0.13 0.01 -0.40 -0.55 8.40 7.59 2bpa11 ASP 312 HA 0.54 0.16 0.70 -0.75 4.63 5.28 2bpa11 ASP 312 HB2 -0.07 0.09 -0.07 -0.04 2.71 2.62 2bpa11 ASP 312 HB3 -0.27 0.02 0.06 -0.04 2.70 2.47 2bpa11 ILE 313 H 0.09 0.43 -0.02 -0.55 8.25 8.20 2bpa11 ILE 313 HA 0.27 0.19 0.80 -0.75 4.18 4.69 2bpa11 ILE 313 HB 0.04 -0.02 0.02 -0.04 1.89 1.89 2bpa11 ILE 313 HG12 0.03 -0.01 -0.02 -0.04 1.49 1.45 2bpa11 ILE 313 HG13 0.07 0.00 -0.06 -0.04 1.21 1.18 2bpa11 ILE 313 HG23 0.01 0.00 -0.11 -0.04 0.93 0.79 2bpa11 ILE 313 HD13 0.10 0.01 0.05 -0.04 0.88 0.99 2bpa11 ALA 314 H -0.17 0.44 0.06 -0.55 8.40 8.18 2bpa11 ALA 314 HA -0.11 0.13 0.44 -0.75 4.34 4.04 2bpa11 ALA 314 HB3 -0.72 -0.01 0.07 -0.04 1.41 0.71 2bpa11 GLY 315 H -0.06 0.16 -0.31 -0.55 8.43 7.67 2bpa11 GLY 315 HA2 -0.36 0.03 0.19 -0.51 4.01 3.36 2bpa11 GLY 315 HA3 -0.39 0.12 0.35 -0.51 4.01 3.58 2bpa11 ASP 316 H -0.50 0.04 -0.17 -0.55 8.40 7.23 2bpa11 ASP 316 HA -0.16 0.19 0.48 -0.75 4.63 4.38 2bpa11 ASP 316 HB2 -0.24 0.05 -0.01 -0.04 2.71 2.47 2bpa11 ASP 316 HB3 -0.16 -0.09 0.12 -0.04 2.70 2.53 2bpa11 PRO 317 HA -0.09 0.08 0.37 -0.51 4.44 4.28 2bpa11 PRO 317 HB2 -0.04 0.02 -0.00 -0.04 2.28 2.23 2bpa11 PRO 317 HB3 -0.05 0.08 0.07 -0.04 2.02 2.08 2bpa11 PRO 317 HG2 -0.05 -0.01 0.10 -0.04 2.03 2.03 2bpa11 PRO 317 HG3 -0.07 0.11 0.12 -0.04 2.03 2.14 2bpa11 PRO 317 HD2 -0.08 -0.01 0.24 -0.04 3.68 3.79 2bpa11 PRO 317 HD3 -0.14 0.56 0.45 -0.04 3.65 4.48 2bpa11 VAL 318 H -0.03 0.09 -0.19 -0.55 8.24 7.56 2bpa11 VAL 318 HA 0.01 0.13 0.39 -0.75 4.13 3.91 2bpa11 VAL 318 HB 0.01 -0.07 0.05 -0.04 2.12 2.07 2bpa11 VAL 318 HG13 0.02 0.01 -0.13 -0.04 0.97 0.83 2bpa11 VAL 318 HG23 -0.00 0.01 -0.02 -0.04 0.95 0.90 2bpa11 LEU 319 H -0.03 0.07 -0.38 -0.55 8.37 7.48 2bpa11 LEU 319 HA 0.08 0.09 0.42 -0.75 4.35 4.19 2bpa11 LEU 319 HB2 -0.04 0.05 0.13 -0.04 1.64 1.74 2bpa11 LEU 319 HB3 0.15 0.01 0.01 -0.04 1.64 1.76 2bpa11 LEU 319 HG 0.10 -0.07 -0.03 -0.04 1.64 1.60 2bpa11 LEU 319 HD13 0.23 -0.01 -0.04 -0.04 0.93 1.07 2bpa11 LEU 319 HD23 0.09 0.02 -0.09 -0.04 0.89 0.86 2bpa11 TYR 320 H -0.05 0.37 -0.01 -0.55 8.29 8.04 2bpa11 TYR 320 HA -0.01 -0.03 0.22 -0.75 4.56 3.99 2bpa11 TYR 320 HB2 -0.05 0.03 -0.03 -0.04 3.06 2.97 2bpa11 TYR 320 HB3 -0.09 0.11 -0.12 -0.04 2.98 2.84 2bpa11 TYR 320 HD2 -0.04 0.00 -0.12 -0.04 7.15 6.95 2bpa11 TYR 320 HE2 0.12 0.15 0.03 -0.04 6.85 7.12 2bpa11 GLY 321 H 0.08 0.47 -0.40 -0.55 8.43 8.03 2bpa11 GLY 321 HA2 0.04 0.03 0.44 -0.51 4.01 4.01 2bpa11 GLY 321 HA3 0.04 -0.01 0.28 -0.51 4.01 3.80 2bpa11 ASN 322 H 0.08 0.59 -0.35 -0.55 8.53 8.30 2bpa11 ASN 322 HA 0.05 0.18 0.93 -0.75 4.76 5.17 2bpa11 ASN 322 HB2 0.05 0.15 0.09 -0.04 2.88 3.12 2bpa11 ASN 322 HB3 0.04 -0.12 0.18 -0.04 2.79 2.85 2bpa11 ASN 322 HD21 0.01 -0.08 -0.03 -0.04 7.03 6.89 2bpa11 ASN 322 HD22 0.02 -0.04 0.04 -0.04 7.74 7.72 2bpa11 LEU 323 H 0.08 0.23 0.08 -0.55 8.37 8.21 2bpa11 LEU 323 HA 0.07 0.15 0.88 -0.75 4.35 4.70 2bpa11 LEU 323 HB2 0.08 0.03 0.13 -0.04 1.64 1.84 2bpa11 LEU 323 HB3 0.08 -0.03 -0.02 -0.04 1.64 1.64 2bpa11 LEU 323 HG 0.13 -0.04 -0.06 -0.04 1.64 1.63 2bpa11 LEU 323 HD13 0.13 -0.04 -0.07 -0.04 0.93 0.91 2bpa11 LEU 323 HD23 0.14 -0.03 -0.05 -0.04 0.89 0.91 2bpa11 PRO 324 HA 0.06 0.10 0.40 -0.51 4.44 4.48 2bpa11 PRO 324 HB2 0.04 0.15 0.09 -0.04 2.28 2.52 2bpa11 PRO 324 HB3 0.05 0.02 0.13 -0.04 2.02 2.18 2bpa11 PRO 324 HG2 0.05 -0.02 0.09 -0.04 2.03 2.10 2bpa11 PRO 324 HG3 0.05 0.04 0.14 -0.04 2.03 2.22 2bpa11 PRO 324 HD2 0.07 0.02 0.22 -0.04 3.68 3.95 2bpa11 PRO 324 HD3 0.06 0.14 0.20 -0.04 3.65 4.01 2bpa11 PRO 325 HA -0.00 0.00 0.51 -0.51 4.44 4.44 2bpa11 PRO 325 HB2 0.03 -0.02 -0.12 -0.04 2.28 2.13 2bpa11 PRO 325 HB3 0.01 0.03 -0.06 -0.04 2.02 1.95 2bpa11 PRO 325 HG2 0.11 0.09 -0.04 -0.04 2.03 2.14 2bpa11 PRO 325 HG3 0.08 0.02 0.04 -0.04 2.03 2.12 2bpa11 PRO 325 HD2 0.05 0.11 0.21 -0.04 3.68 4.00 2bpa11 PRO 325 HD3 0.07 0.10 0.21 -0.04 3.65 3.99 2bpa11 ARG 326 H 0.01 0.56 0.28 -0.55 8.46 8.75 2bpa11 ARG 326 HA 0.02 0.11 0.73 -0.75 4.34 4.44 2bpa11 ARG 326 HB2 0.11 -0.01 0.02 -0.04 1.90 1.97 2bpa11 ARG 326 HB3 0.04 -0.07 0.01 -0.04 1.80 1.74 2bpa11 ARG 326 HG2 -0.01 0.12 -0.17 -0.04 1.67 1.58 2bpa11 ARG 326 HG3 0.06 0.00 0.00 -0.04 1.67 1.70 2bpa11 ARG 326 HD2 0.03 -0.05 -0.10 -0.04 3.22 3.06 2bpa11 ARG 326 HD3 0.01 0.01 -0.08 -0.04 3.22 3.12 2bpa11 GLU 327 H -0.02 0.16 0.15 -0.55 8.60 8.35 2bpa11 GLU 327 HA -0.08 0.26 0.90 -0.75 4.29 4.61 2bpa11 GLU 327 HB2 -0.02 0.03 0.02 -0.04 2.09 2.08 2bpa11 GLU 327 HB3 -0.03 -0.06 0.13 -0.04 1.99 1.99 2bpa11 GLU 327 HG2 -0.05 0.01 -0.21 -0.04 2.34 2.05 2bpa11 GLU 327 HG3 -0.04 0.02 -0.10 -0.04 2.34 2.18 2bpa11 ILE 328 H -0.29 0.99 0.46 -0.55 8.25 8.86 2bpa11 ILE 328 HA -0.15 0.09 0.72 -0.75 4.18 4.08 2bpa11 ILE 328 HB -0.33 -0.01 -0.17 -0.04 1.89 1.33 2bpa11 ILE 328 HG12 -0.17 -0.09 0.11 -0.04 1.49 1.30 2bpa11 ILE 328 HG13 -0.08 -0.01 -0.01 -0.04 1.21 1.07 2bpa11 ILE 328 HG23 -1.32 0.08 -0.20 -0.04 0.93 -0.56 2bpa11 ILE 328 HD13 -0.29 -0.00 -0.15 -0.04 0.88 0.40 2bpa11 SER 329 H -0.11 0.12 0.18 -0.55 8.46 8.11 2bpa11 SER 329 HA 0.05 0.42 0.92 -0.75 4.49 5.12 2bpa11 SER 329 HB2 0.05 0.16 -0.03 -0.04 3.95 4.08 2bpa11 SER 329 HB3 -0.00 0.06 -0.06 -0.04 3.93 3.88 2bpa11 MET 330 H 0.23 0.78 0.24 -0.55 8.47 9.17 2bpa11 MET 330 HA 0.50 0.08 0.32 -0.75 4.52 4.67 2bpa11 MET 330 HB2 0.10 0.24 0.20 -0.04 2.15 2.65 2bpa11 MET 330 HB3 0.03 -0.19 -0.00 -0.04 2.03 1.83 2bpa11 MET 330 HG2 0.13 0.12 0.08 -0.04 2.63 2.92 2bpa11 MET 330 HG3 -0.06 0.06 0.08 -0.04 2.56 2.59 2bpa11 MET 330 HE3 -0.73 0.03 -0.02 -0.04 2.10 1.33 2bpa11 LYS 331 H 0.10 0.08 -0.72 -0.55 8.42 7.33 2bpa11 LYS 331 HA 0.09 0.15 0.53 -0.75 4.32 4.33 2bpa11 LYS 331 HB2 0.04 -0.14 -0.30 -0.04 1.87 1.43 2bpa11 LYS 331 HB3 0.03 0.00 -0.16 -0.04 1.79 1.62 2bpa11 LYS 331 HG2 0.02 0.09 0.10 -0.04 1.46 1.63 2bpa11 LYS 331 HG3 0.02 0.21 0.03 -0.04 1.46 1.67 2bpa11 LYS 331 HD2 0.00 -0.10 -0.00 -0.04 1.69 1.55 2bpa11 LYS 331 HD3 -0.01 0.03 -0.04 -0.04 1.68 1.62 2bpa11 LYS 331 HE2 -0.00 0.07 0.03 -0.04 2.99 3.05 2bpa11 LYS 331 HE3 -0.00 -0.02 0.03 -0.04 2.99 2.95 2bpa11 ASP 332 H 0.10 0.51 -0.23 -0.55 8.40 8.24 2bpa11 ASP 332 HA 0.00 0.21 0.47 -0.75 4.63 4.56 2bpa11 ASP 332 HB2 0.15 0.05 0.02 -0.04 2.71 2.89 2bpa11 ASP 332 HB3 0.21 0.00 0.03 -0.04 2.70 2.90 2bpa11 VAL 333 H 0.16 0.14 -0.46 -0.55 8.24 7.52 2bpa11 VAL 333 HA 0.00 0.21 0.64 -0.75 4.13 4.24 2bpa11 VAL 333 HB -0.01 0.02 0.13 -0.04 2.12 2.21 2bpa11 VAL 333 HG13 0.26 -0.03 -0.23 -0.04 0.97 0.92 2bpa11 VAL 333 HG23 0.33 0.00 -0.11 -0.04 0.95 1.12 2bpa11 PHE 334 H 0.12 0.25 -0.06 -0.55 8.34 8.10 2bpa11 PHE 334 HA -0.07 0.29 0.95 -0.75 4.62 5.04 2bpa11 PHE 334 HB2 -0.10 0.26 0.13 -0.04 3.15 3.40 2bpa11 PHE 334 HB3 -0.12 -0.20 -0.11 -0.04 3.06 2.58 2bpa11 PHE 334 HD2 -0.20 -0.02 -0.15 -0.04 7.28 6.87 2bpa11 PHE 334 HE2 -0.94 -0.05 -0.07 -0.04 7.38 6.28 2bpa11 PHE 334 HZ -1.45 0.04 -0.01 -0.04 7.32 5.85 2bpa11 ARG 335 H 0.10 0.46 0.20 -0.55 8.46 8.67 2bpa11 ARG 335 HA 0.01 0.13 0.29 -0.75 4.34 4.02 2bpa11 ARG 335 HB2 -0.02 0.07 0.14 -0.04 1.90 2.05 2bpa11 ARG 335 HB3 -0.03 -0.02 0.08 -0.04 1.80 1.80 2bpa11 ARG 335 HG2 -0.02 -0.01 0.14 -0.04 1.67 1.74 2bpa11 ARG 335 HG3 -0.02 0.01 0.11 -0.04 1.67 1.73 2bpa11 ARG 335 HD2 -0.04 0.01 0.03 -0.04 3.22 3.18 2bpa11 ARG 335 HD3 -0.07 0.01 0.01 -0.04 3.22 3.13 2bpa11 SER 336 H 0.04 0.06 -0.24 -0.55 8.46 7.78 2bpa11 SER 336 HA -0.01 0.26 0.90 -0.75 4.49 4.89 2bpa11 SER 336 HB2 -0.04 -0.02 0.05 -0.04 3.95 3.90 2bpa11 SER 336 HB3 -0.02 -0.02 0.15 -0.04 3.93 4.00 2bpa11 GLY 337 H 0.05 0.39 -0.38 -0.55 8.43 7.94 2bpa11 GLY 337 HA2 -0.07 0.02 0.21 -0.51 4.01 3.66 2bpa11 GLY 337 HA3 0.07 0.22 -0.17 -0.51 4.01 3.62 2bpa11 ASP 338 H -0.04 0.21 0.10 -0.55 8.40 8.12 2bpa11 ASP 338 HA -0.00 0.17 0.59 -0.75 4.63 4.63 2bpa11 ASP 338 HB2 -0.02 0.14 0.14 -0.04 2.71 2.93 2bpa11 ASP 338 HB3 0.00 -0.01 0.25 -0.04 2.70 2.91 2bpa11 SER 339 H 0.01 0.32 0.18 -0.55 8.46 8.43 2bpa11 SER 339 HA 0.03 -0.05 0.32 -0.75 4.49 4.03 2bpa11 SER 339 HB2 0.01 0.03 0.08 -0.04 3.95 4.03 2bpa11 SER 339 HB3 0.01 0.09 0.16 -0.04 3.93 4.14 2bpa11 SER 340 H 0.02 -0.00 -0.50 -0.55 8.46 7.43 2bpa11 SER 340 HA 0.02 0.15 0.53 -0.75 4.49 4.43 2bpa11 SER 340 HB2 0.01 0.03 0.07 -0.04 3.95 4.02 2bpa11 SER 340 HB3 0.01 -0.05 0.02 -0.04 3.93 3.87 2bpa11 LYS 341 H 0.05 0.48 -0.18 -0.55 8.42 8.21 2bpa11 LYS 341 HA 0.06 0.10 0.76 -0.75 4.32 4.49 2bpa11 LYS 341 HB2 0.08 -0.05 0.31 -0.04 1.87 2.17 2bpa11 LYS 341 HB3 0.09 0.13 0.09 -0.04 1.79 2.05 2bpa11 LYS 341 HG2 0.02 -0.13 0.06 -0.04 1.46 1.36 2bpa11 LYS 341 HG3 0.01 -0.02 0.11 -0.04 1.46 1.51 2bpa11 LYS 341 HD2 0.04 0.11 0.01 -0.04 1.69 1.81 2bpa11 LYS 341 HD3 0.03 -0.01 -0.47 -0.04 1.68 1.19 2bpa11 LYS 341 HE2 0.01 -0.05 -0.07 -0.04 2.99 2.84 2bpa11 LYS 341 HE3 0.01 -0.08 -0.05 -0.04 2.99 2.83 2bpa11 LYS 342 H 0.08 0.14 0.15 -0.55 8.42 8.24 2bpa11 LYS 342 HA 0.09 0.20 0.89 -0.75 4.32 4.75 2bpa11 LYS 342 HB2 0.04 -0.05 -0.01 -0.04 1.87 1.82 2bpa11 LYS 342 HB3 0.00 0.01 0.05 -0.04 1.79 1.82 2bpa11 LYS 342 HG2 0.03 0.05 -0.05 -0.04 1.46 1.46 2bpa11 LYS 342 HG3 0.01 -0.03 -0.04 -0.04 1.46 1.36 2bpa11 LYS 342 HD2 -0.02 0.04 -0.27 -0.04 1.69 1.40 2bpa11 LYS 342 HD3 0.02 -0.06 -0.40 -0.04 1.68 1.20 2bpa11 LYS 342 HE2 -0.01 -0.06 -0.10 -0.04 2.99 2.79 2bpa11 LYS 342 HE3 0.01 0.17 -0.01 -0.04 2.99 3.11 2bpa11 PHE 343 H -0.12 0.67 0.40 -0.55 8.34 8.73 2bpa11 PHE 343 HA -0.02 0.08 0.51 -0.75 4.62 4.44 2bpa11 PHE 343 HB2 0.02 0.06 0.09 -0.04 3.15 3.28 2bpa11 PHE 343 HB3 0.04 0.17 0.08 -0.04 3.06 3.31 2bpa11 PHE 343 HD2 0.06 0.06 -0.40 -0.04 7.28 6.97 2bpa11 PHE 343 HE2 0.12 -0.06 -0.44 -0.04 7.38 6.96 2bpa11 PHE 343 HZ 0.20 -0.06 -0.24 -0.04 7.32 7.18 2bpa11 LYS 344 H 0.11 0.28 0.12 -0.55 8.42 8.38 2bpa11 LYS 344 HA -0.04 0.27 0.95 -0.75 4.32 4.75 2bpa11 LYS 344 HB2 0.01 0.06 0.04 -0.04 1.87 1.93 2bpa11 LYS 344 HB3 0.01 0.02 -0.14 -0.04 1.79 1.63 2bpa11 LYS 344 HG2 -0.01 -0.03 -0.20 -0.04 1.46 1.17 2bpa11 LYS 344 HG3 -0.01 -0.15 -0.24 -0.04 1.46 1.03 2bpa11 LYS 344 HD2 -0.03 0.06 -0.07 -0.04 1.69 1.61 2bpa11 LYS 344 HD3 -0.01 0.05 -0.14 -0.04 1.68 1.54 2bpa11 LYS 344 HE2 -0.02 -0.10 -0.06 -0.04 2.99 2.77 2bpa11 LYS 344 HE3 -0.03 -0.13 -0.06 -0.04 2.99 2.74 2bpa11 ILE 345 H -0.04 0.82 0.35 -0.55 8.25 8.82 2bpa11 ILE 345 HA 0.01 0.13 0.72 -0.75 4.18 4.28 2bpa11 ILE 345 HB -0.06 0.00 -0.10 -0.04 1.89 1.69 2bpa11 ILE 345 HG12 -0.03 -0.01 0.11 -0.04 1.49 1.52 2bpa11 ILE 345 HG13 0.03 0.04 -0.02 -0.04 1.21 1.22 2bpa11 ILE 345 HG23 -0.05 0.11 -0.11 -0.04 0.93 0.84 2bpa11 ILE 345 HD13 0.06 -0.04 -0.06 -0.04 0.88 0.79 2bpa11 ALA 346 H -0.08 0.16 0.16 -0.55 8.40 8.10 2bpa11 ALA 346 HA -0.10 0.11 0.63 -0.75 4.34 4.23 2bpa11 ALA 346 HB3 -0.15 0.04 0.07 -0.04 1.41 1.32 2bpa11 GLU 347 H -0.11 0.27 0.16 -0.55 8.60 8.36 2bpa11 GLU 347 HA -0.13 -0.03 0.38 -0.75 4.29 3.75 2bpa11 GLU 347 HB2 -0.07 0.18 0.17 -0.04 2.09 2.32 2bpa11 GLU 347 HB3 -0.22 -0.05 -0.05 -0.04 1.99 1.62 2bpa11 GLU 347 HG2 0.07 0.25 -0.02 -0.04 2.34 2.60 2bpa11 GLU 347 HG3 0.13 -0.01 -0.06 -0.04 2.34 2.36 2bpa11 GLY 348 H -2.22 0.11 0.19 -0.55 8.43 5.95 2bpa11 GLY 348 HA2 -2.20 0.02 0.35 -0.51 4.01 1.67 2bpa11 GLY 348 HA3 -1.57 0.19 0.50 -0.51 4.01 2.63 2bpa11 GLN 349 H -0.86 0.51 -0.22 -0.55 8.47 7.36 2bpa11 GLN 349 HA -0.26 0.12 0.27 -0.75 4.36 3.74 2bpa11 GLN 349 HB2 -0.19 0.29 0.16 -0.04 2.15 2.38 2bpa11 GLN 349 HB3 -0.03 -0.06 -0.05 -0.04 2.02 1.84 2bpa11 GLN 349 HG2 -0.07 -0.01 0.05 -0.04 2.40 2.33 2bpa11 GLN 349 HG3 -0.06 -0.03 -0.05 -0.04 2.39 2.21 2bpa11 GLN 349 HE21 -0.06 0.04 -0.03 -0.04 6.97 6.89 2bpa11 GLN 349 HE22 -0.06 0.02 -0.05 -0.04 7.69 7.55 2bpa11 TRP 350 H -0.44 0.06 -0.22 -0.55 7.97 6.84 2bpa11 TRP 350 HA 0.07 0.10 0.45 -0.75 4.62 4.49 2bpa11 TRP 350 HB2 0.00 -0.03 0.12 -0.04 3.23 3.28 2bpa11 TRP 350 HB3 0.03 -0.03 0.10 -0.04 3.23 3.30 2bpa11 TRP 350 HD1 -0.56 0.04 -0.11 -0.04 7.22 6.55 2bpa11 TRP 350 HE1 0.16 0.45 0.16 -0.04 10.20 10.92 2bpa11 TRP 350 HE3 -0.37 0.02 0.02 -0.04 7.59 7.23 2bpa11 TRP 350 HZ2 0.10 0.14 0.07 -0.04 7.44 7.71 2bpa11 TRP 350 HZ3 -0.28 0.11 -0.02 -0.04 7.13 6.90 2bpa11 TRP 350 HH2 -0.08 0.08 0.04 -0.04 7.19 7.19 2bpa11 TYR 351 H -0.39 0.55 -0.45 -0.55 8.29 7.45 2bpa11 TYR 351 HA 0.05 0.15 0.77 -0.75 4.56 4.77 2bpa11 TYR 351 HB2 -0.22 0.12 0.09 -0.04 3.06 3.02 2bpa11 TYR 351 HB3 -0.02 -0.01 0.10 -0.04 2.98 3.02 2bpa11 TYR 351 HD2 0.11 -0.02 0.05 -0.04 7.15 7.25 2bpa11 TYR 351 HE2 0.23 -0.00 -0.03 -0.04 6.85 7.01 2bpa11 ARG 352 H -0.00 0.40 -0.19 -0.55 8.46 8.12 2bpa11 ARG 352 HA 0.05 0.17 0.85 -0.75 4.34 4.64 2bpa11 ARG 352 HB2 -0.01 0.04 0.05 -0.04 1.90 1.94 2bpa11 ARG 352 HB3 0.00 -0.03 0.13 -0.04 1.80 1.86 2bpa11 ARG 352 HG2 -0.04 0.00 -0.27 -0.04 1.67 1.33 2bpa11 ARG 352 HG3 -0.15 0.05 -0.10 -0.04 1.67 1.43 2bpa11 ARG 352 HD2 -0.05 -0.01 -0.04 -0.04 3.22 3.09 2bpa11 ARG 352 HD3 -0.05 -0.02 -0.07 -0.04 3.22 3.04 2bpa11 TYR 353 H 0.14 0.17 -0.12 -0.55 8.29 7.94 2bpa11 TYR 353 HA 0.03 0.14 0.77 -0.75 4.56 4.74 2bpa11 TYR 353 HB2 0.02 0.08 -0.17 -0.04 3.06 2.94 2bpa11 TYR 353 HB3 0.03 0.04 -0.03 -0.04 2.98 2.98 2bpa11 TYR 353 HD2 0.06 0.03 -0.09 -0.04 7.15 7.11 2bpa11 TYR 353 HE2 0.07 0.06 -0.04 -0.04 6.85 6.89 2bpa11 ALA 354 H -0.48 0.24 0.09 -0.55 8.40 7.72 2bpa11 ALA 354 HA -0.37 0.17 0.88 -0.75 4.34 4.26 2bpa11 ALA 354 HB3 -0.14 0.02 -0.03 -0.04 1.41 1.22 2bpa11 PRO 355 HA -0.13 0.03 0.51 -0.51 4.44 4.34 2bpa11 PRO 355 HB2 0.01 0.19 -0.04 -0.04 2.28 2.40 2bpa11 PRO 355 HB3 0.13 -0.05 0.05 -0.04 2.02 2.10 2bpa11 PRO 355 HG2 -0.07 0.05 -0.15 -0.04 2.03 1.82 2bpa11 PRO 355 HG3 -0.02 0.03 -0.19 -0.04 2.03 1.81 2bpa11 PRO 355 HD2 -0.19 0.09 0.22 -0.04 3.68 3.76 2bpa11 PRO 355 HD3 -0.25 0.09 0.12 -0.04 3.65 3.56 2bpa11 SER 356 H 0.02 0.06 0.15 -0.55 8.46 8.14 2bpa11 SER 356 HA -0.03 0.09 0.52 -0.75 4.49 4.31 2bpa11 SER 356 HB2 -0.01 -0.04 0.06 -0.04 3.95 3.91 2bpa11 SER 356 HB3 -0.07 0.05 -0.05 -0.04 3.93 3.83 2bpa11 TYR 357 H 0.02 0.14 0.13 -0.55 8.29 8.03 2bpa11 TYR 357 HA -0.12 0.26 0.85 -0.75 4.56 4.79 2bpa11 TYR 357 HB2 -0.09 0.05 -0.08 -0.04 3.06 2.90 2bpa11 TYR 357 HB3 -0.09 -0.04 0.07 -0.04 2.98 2.88 2bpa11 TYR 357 HD2 -0.08 0.04 -0.07 -0.04 7.15 7.00 2bpa11 TYR 357 HE2 -0.04 0.00 -0.06 -0.04 6.85 6.71 2bpa11 VAL 358 H -0.43 0.31 0.00 -0.55 8.24 7.58 2bpa11 VAL 358 HA -0.72 0.09 0.73 -0.75 4.13 3.47 2bpa11 VAL 358 HB -0.43 0.07 0.14 -0.04 2.12 1.85 2bpa11 VAL 358 HG13 -0.56 0.02 -0.13 -0.04 0.97 0.26 2bpa11 VAL 358 HG23 -0.86 0.00 -0.29 -0.04 0.95 -0.23 2bpa11 SER 359 H -0.63 0.12 0.03 -0.55 8.46 7.43 2bpa11 SER 359 HA -0.46 0.11 0.43 -0.75 4.49 3.82 2bpa11 SER 359 HB2 -0.00 0.07 0.12 -0.04 3.95 4.09 2bpa11 SER 359 HB3 0.14 0.01 0.13 -0.04 3.93 4.17 2bpa11 PRO 360 HA 0.01 0.17 0.46 -0.51 4.44 4.56 2bpa11 PRO 360 HB2 0.03 0.01 0.04 -0.04 2.28 2.32 2bpa11 PRO 360 HB3 0.01 0.08 0.16 -0.04 2.02 2.23 2bpa11 PRO 360 HG2 0.05 -0.01 0.06 -0.04 2.03 2.08 2bpa11 PRO 360 HG3 0.05 0.06 0.09 -0.04 2.03 2.19 2bpa11 PRO 360 HD2 0.10 0.03 0.25 -0.04 3.68 4.02 2bpa11 PRO 360 HD3 0.09 0.21 0.22 -0.04 3.65 4.14 2bpa11 ALA 361 H 0.05 0.04 -0.52 -0.55 8.40 7.43 2bpa11 ALA 361 HA 0.01 0.08 0.45 -0.75 4.34 4.13 2bpa11 ALA 361 HB3 -0.06 0.00 0.03 -0.04 1.41 1.34 2bpa11 TYR 362 H 0.20 0.54 -0.35 -0.55 8.29 8.13 2bpa11 TYR 362 HA -0.04 0.12 0.63 -0.75 4.56 4.52 2bpa11 TYR 362 HB2 -0.12 0.18 -0.05 -0.04 3.06 3.03 2bpa11 TYR 362 HB3 -0.05 0.02 0.00 -0.04 2.98 2.91 2bpa11 TYR 362 HD2 -0.73 0.05 -0.03 -0.04 7.15 6.40 2bpa11 TYR 362 HE2 -0.28 -0.02 -0.02 -0.04 6.85 6.49 2bpa11 HIS 363 H 0.17 0.36 -0.29 -0.55 8.41 8.11 2bpa11 HIS 363 HA 0.06 0.05 0.17 -0.75 4.63 4.17 2bpa11 HIS 363 HB2 0.02 0.05 0.16 -0.04 3.26 3.45 2bpa11 HIS 363 HB3 0.03 -0.07 0.12 -0.04 3.20 3.24 2bpa11 HIS 363 HD2 0.04 0.00 0.05 -0.04 6.97 7.02 2bpa11 HIS 363 HE1 0.01 -0.05 -0.05 -0.04 7.75 7.62 2bpa11 LEU 364 H -0.02 0.09 -0.11 -0.55 8.37 7.78 2bpa11 LEU 364 HA -0.11 0.30 1.03 -0.75 4.35 4.81 2bpa11 LEU 364 HB2 -0.16 -0.04 0.05 -0.04 1.64 1.45 2bpa11 LEU 364 HB3 -0.13 -0.03 0.17 -0.04 1.64 1.61 2bpa11 LEU 364 HG -1.17 -0.07 -0.35 -0.04 1.64 0.01 2bpa11 LEU 364 HD13 -0.21 -0.01 -0.03 -0.04 0.93 0.63 2bpa11 LEU 364 HD23 -0.24 0.03 -0.03 -0.04 0.89 0.61 2bpa11 LEU 365 H 0.08 0.34 -0.44 -0.55 8.37 7.80 2bpa11 LEU 365 HA 0.05 -0.04 0.44 -0.75 4.35 4.05 2bpa11 LEU 365 HB2 0.06 -0.04 0.08 -0.04 1.64 1.70 2bpa11 LEU 365 HB3 0.22 0.07 0.13 -0.04 1.64 2.02 2bpa11 LEU 365 HG 0.30 0.18 -0.18 -0.04 1.64 1.90 2bpa11 LEU 365 HD13 0.05 -0.03 0.04 -0.04 0.93 0.95 2bpa11 LEU 365 HD23 0.15 -0.01 -0.02 -0.04 0.89 0.96 2bpa11 GLU 366 H 0.03 0.04 0.24 -0.55 8.60 8.37 2bpa11 GLU 366 HA 0.01 0.10 0.52 -0.75 4.29 4.17 2bpa11 GLU 366 HB2 -0.03 0.17 0.10 -0.04 2.09 2.29 2bpa11 GLU 366 HB3 -0.01 -0.04 0.17 -0.04 1.99 2.07 2bpa11 GLU 366 HG2 0.00 -0.08 0.18 -0.04 2.34 2.40 2bpa11 GLU 366 HG3 -0.02 0.02 -0.06 -0.04 2.34 2.23 2bpa11 GLY 367 H -0.11 0.42 0.31 -0.55 8.43 8.50 2bpa11 GLY 367 HA2 -0.23 0.11 0.48 -0.51 4.01 3.86 2bpa11 GLY 367 HA3 -0.29 0.07 0.70 -0.51 4.01 3.98 2bpa11 PHE 368 H -0.06 0.26 0.01 -0.55 8.34 7.99 2bpa11 PHE 368 HA -0.44 0.17 0.85 -0.75 4.62 4.45 2bpa11 PHE 368 HB2 -0.51 0.11 0.07 -0.04 3.15 2.79 2bpa11 PHE 368 HB3 -1.77 -0.02 -0.06 -0.04 3.06 1.16 2bpa11 PHE 368 HD2 -0.16 0.10 -0.13 -0.04 7.28 7.05 2bpa11 PHE 368 HE2 0.08 -0.03 -0.08 -0.04 7.38 7.31 2bpa11 PHE 368 HZ 0.13 -0.05 -0.06 -0.04 7.32 7.29 2bpa11 PRO 369 HA -0.17 0.13 0.54 -0.51 4.44 4.43 2bpa11 PRO 369 HB2 -1.05 0.01 0.17 -0.04 2.28 1.37 2bpa11 PRO 369 HB3 -0.94 0.00 0.07 -0.04 2.02 1.11 2bpa11 PRO 369 HG2 -0.49 0.03 0.06 -0.04 2.03 1.59 2bpa11 PRO 369 HG3 -0.97 0.05 0.08 -0.04 2.03 1.15 2bpa11 PRO 369 HD2 -0.35 0.05 0.12 -0.04 3.68 3.45 2bpa11 PRO 369 HD3 -0.37 0.16 0.16 -0.04 3.65 3.55 2bpa11 PHE 370 H -0.12 0.48 -0.16 -0.55 8.34 8.00 2bpa11 PHE 370 HA 0.07 0.22 0.77 -0.75 4.62 4.93 2bpa11 PHE 370 HB2 0.04 0.03 -0.13 -0.04 3.15 3.05 2bpa11 PHE 370 HB3 0.04 0.02 -0.10 -0.04 3.06 2.98 2bpa11 PHE 370 HD2 -0.00 0.13 -0.20 -0.04 7.28 7.17 2bpa11 PHE 370 HE2 -0.31 -0.02 -0.11 -0.04 7.38 6.89 2bpa11 PHE 370 HZ -0.34 -0.03 -0.09 -0.04 7.32 6.82 2bpa11 ILE 371 H 0.24 0.56 0.22 -0.55 8.25 8.73 2bpa11 ILE 371 HA -0.01 0.12 0.60 -0.75 4.18 4.13 2bpa11 ILE 371 HB 0.18 -0.03 0.10 -0.04 1.89 2.09 2bpa11 ILE 371 HG12 0.11 -0.03 -0.01 -0.04 1.49 1.52 2bpa11 ILE 371 HG13 0.23 0.06 -0.11 -0.04 1.21 1.34 2bpa11 ILE 371 HG23 0.02 -0.02 -0.11 -0.04 0.93 0.78 2bpa11 ILE 371 HD13 0.31 0.00 -0.11 -0.04 0.88 1.04 2bpa11 GLN 372 H 0.03 0.18 0.16 -0.55 8.47 8.29 2bpa11 GLN 372 HA 0.17 0.08 0.59 -0.75 4.36 4.44 2bpa11 GLN 372 HB2 0.04 -0.08 0.08 -0.04 2.15 2.15 2bpa11 GLN 372 HB3 0.09 0.04 0.06 -0.04 2.02 2.17 2bpa11 GLN 372 HG2 0.07 0.05 0.01 -0.04 2.40 2.49 2bpa11 GLN 372 HG3 0.03 -0.05 0.05 -0.04 2.39 2.38 2bpa11 GLN 372 HE21 0.28 0.06 -0.07 -0.04 6.97 7.21 2bpa11 GLN 372 HE22 0.19 0.09 -0.15 -0.04 7.69 7.77 2bpa11 GLU 373 H -0.00 0.14 0.02 -0.55 8.60 8.21 2bpa11 GLU 373 HA -0.02 0.18 0.80 -0.75 4.29 4.50 2bpa11 GLU 373 HB2 -0.04 -0.05 -0.03 -0.04 2.09 1.94 2bpa11 GLU 373 HB3 -0.05 0.07 0.02 -0.04 1.99 1.99 2bpa11 GLU 373 HG2 0.05 -0.10 -0.32 -0.04 2.34 1.94 2bpa11 GLU 373 HG3 0.02 -0.02 -0.07 -0.04 2.34 2.22 2bpa11 PRO 374 HA -0.86 0.12 0.42 -0.51 4.44 3.60 2bpa11 PRO 374 HB2 -0.86 0.11 -0.13 -0.04 2.28 1.35 2bpa11 PRO 374 HB3 -2.20 -0.00 -0.01 -0.04 2.02 -0.24 2bpa11 PRO 374 HG2 -0.25 0.15 -0.28 -0.04 2.03 1.61 2bpa11 PRO 374 HG3 -0.20 -0.20 -0.15 -0.04 2.03 1.45 2bpa11 PRO 374 HD2 -0.13 0.13 0.11 -0.04 3.68 3.75 2bpa11 PRO 374 HD3 -0.11 0.13 0.10 -0.04 3.65 3.73 2bpa11 PRO 375 HA -0.10 0.00 0.36 -0.51 4.44 4.19 2bpa11 PRO 375 HB2 -0.07 -0.02 -0.08 -0.04 2.28 2.07 2bpa11 PRO 375 HB3 0.07 0.15 0.07 -0.04 2.02 2.26 2bpa11 PRO 375 HG2 -0.89 -0.00 0.04 -0.04 2.03 1.14 2bpa11 PRO 375 HG3 -0.09 0.13 0.07 -0.04 2.03 2.09 2bpa11 PRO 375 HD2 -1.38 -0.00 0.19 -0.04 3.68 2.45 2bpa11 PRO 375 HD3 -0.47 0.20 0.18 -0.04 3.65 3.52 2bpa11 SER 376 H -0.06 0.15 0.16 -0.55 8.46 8.17 2bpa11 SER 376 HA -0.07 0.13 0.90 -0.75 4.49 4.69 2bpa11 SER 376 HB2 -0.03 -0.06 0.01 -0.04 3.95 3.83 2bpa11 SER 376 HB3 -0.07 0.10 0.02 -0.04 3.93 3.93 2bpa11 GLY 377 H -0.00 0.22 0.13 -0.55 8.43 8.23 2bpa11 GLY 377 HA2 0.02 -0.03 0.25 -0.51 4.01 3.74 2bpa11 GLY 377 HA3 0.03 0.19 0.83 -0.51 4.01 4.56 2bpa11 ASP 378 H 0.05 0.09 0.14 -0.55 8.40 8.14 2bpa11 ASP 378 HA 0.06 0.16 0.65 -0.75 4.63 4.74 2bpa11 ASP 378 HB2 0.06 0.00 0.19 -0.04 2.71 2.92 2bpa11 ASP 378 HB3 0.07 0.01 0.19 -0.04 2.70 2.93 2bpa11 LEU 379 H 0.06 0.18 0.19 -0.55 8.37 8.25 2bpa11 LEU 379 HA 0.11 0.16 0.41 -0.75 4.35 4.27 2bpa11 LEU 379 HB2 -0.02 0.10 0.18 -0.04 1.64 1.86 2bpa11 LEU 379 HB3 -0.06 -0.08 0.16 -0.04 1.64 1.62 2bpa11 LEU 379 HG 0.40 -0.02 -0.23 -0.04 1.64 1.75 2bpa11 LEU 379 HD13 0.07 0.03 0.05 -0.04 0.93 1.04 2bpa11 LEU 379 HD23 -0.73 0.02 -0.02 -0.04 0.89 0.12 2bpa11 GLN 380 H 0.29 0.03 -0.21 -0.55 8.47 8.03 2bpa11 GLN 380 HA 0.36 0.12 0.34 -0.75 4.36 4.43 2bpa11 GLN 380 HB2 0.39 0.02 0.08 -0.04 2.15 2.59 2bpa11 GLN 380 HB3 0.18 -0.07 0.01 -0.04 2.02 2.09 2bpa11 GLN 380 HG2 0.08 0.02 -0.17 -0.04 2.40 2.29 2bpa11 GLN 380 HG3 -0.00 0.03 0.04 -0.04 2.39 2.42 2bpa11 GLN 380 HE21 0.03 0.01 -0.01 -0.04 6.97 6.96 2bpa11 GLN 380 HE22 0.03 0.00 -0.05 -0.04 7.69 7.63 2bpa11 GLU 381 H 0.13 0.05 -0.27 -0.55 8.60 7.96 2bpa11 GLU 381 HA 0.10 0.05 0.43 -0.75 4.29 4.12 2bpa11 GLU 381 HB2 0.08 -0.06 0.01 -0.04 2.09 2.08 2bpa11 GLU 381 HB3 0.08 0.08 -0.10 -0.04 1.99 2.00 2bpa11 GLU 381 HG2 0.07 -0.11 0.05 -0.04 2.34 2.31 2bpa11 GLU 381 HG3 0.05 -0.00 0.07 -0.04 2.34 2.41 2bpa11 ARG 382 H 0.15 0.38 -0.39 -0.55 8.46 8.05 2bpa11 ARG 382 HA 0.20 0.04 0.42 -0.75 4.34 4.24 2bpa11 ARG 382 HB2 0.19 0.11 0.01 -0.04 1.90 2.16 2bpa11 ARG 382 HB3 0.33 -0.04 -0.06 -0.04 1.80 1.99 2bpa11 ARG 382 HG2 0.02 -0.11 -0.45 -0.04 1.67 1.09 2bpa11 ARG 382 HG3 0.07 0.04 -0.42 -0.04 1.67 1.33 2bpa11 ARG 382 HD2 0.05 0.01 -0.10 -0.04 3.22 3.14 2bpa11 ARG 382 HD3 -0.04 -0.01 -0.10 -0.04 3.22 3.03 2bpa11 VAL 383 H 0.22 0.33 -0.09 -0.55 8.24 8.15 2bpa11 VAL 383 HA 0.19 0.07 0.60 -0.75 4.13 4.22 2bpa11 VAL 383 HB 0.10 0.19 0.18 -0.04 2.12 2.55 2bpa11 VAL 383 HG13 0.28 0.08 0.03 -0.04 0.97 1.32 2bpa11 VAL 383 HG23 0.05 -0.04 -0.05 -0.04 0.95 0.86 2bpa11 LEU 384 H 0.15 0.34 -0.22 -0.55 8.37 8.09 2bpa11 LEU 384 HA 0.08 0.15 0.44 -0.75 4.35 4.26 2bpa11 LEU 384 HB2 0.10 -0.00 0.09 -0.04 1.64 1.79 2bpa11 LEU 384 HB3 0.10 -0.05 -0.08 -0.04 1.64 1.57 2bpa11 LEU 384 HG 0.05 0.06 0.03 -0.04 1.64 1.74 2bpa11 LEU 384 HD13 0.06 -0.05 -0.04 -0.04 0.93 0.86 2bpa11 LEU 384 HD23 0.06 0.02 -0.29 -0.04 0.89 0.64 2bpa11 ILE 385 H 0.01 0.81 0.31 -0.55 8.25 8.83 2bpa11 ILE 385 HA -0.01 0.07 0.39 -0.75 4.18 3.87 2bpa11 ILE 385 HB 0.03 -0.03 0.09 -0.04 1.89 1.94 2bpa11 ILE 385 HG12 -0.90 -0.05 -0.08 -0.04 1.49 0.42 2bpa11 ILE 385 HG13 -0.28 0.13 -0.12 -0.04 1.21 0.90 2bpa11 ILE 385 HG23 0.18 -0.05 -0.20 -0.04 0.93 0.82 2bpa11 ILE 385 HD13 -0.04 0.04 -0.19 -0.04 0.88 0.64 2bpa11 ARG 386 H 0.23 0.22 0.11 -0.55 8.46 8.47 2bpa11 ARG 386 HA 0.15 0.00 0.69 -0.75 4.34 4.42 2bpa11 ARG 386 HB2 0.12 0.20 -0.02 -0.04 1.90 2.15 2bpa11 ARG 386 HB3 0.15 0.10 0.17 -0.04 1.80 2.18 2bpa11 ARG 386 HG2 0.09 -0.28 -0.01 -0.04 1.67 1.43 2bpa11 ARG 386 HG3 0.08 0.01 0.04 -0.04 1.67 1.76 2bpa11 ARG 386 HD2 0.08 0.16 0.04 -0.04 3.22 3.45 2bpa11 ARG 386 HD3 0.05 -0.03 0.03 -0.04 3.22 3.22 2bpa11 HIS 387 H 0.23 0.26 0.08 -0.55 8.41 8.43 2bpa11 HIS 387 HA 0.34 0.11 0.31 -0.75 4.63 4.63 2bpa11 HIS 387 HB2 0.02 -0.00 0.14 -0.04 3.26 3.38 2bpa11 HIS 387 HB3 0.05 -0.05 0.13 -0.04 3.20 3.28 2bpa11 HIS 387 HD2 -0.38 0.03 -0.15 -0.04 6.97 6.43 2bpa11 HIS 387 HE1 0.04 -0.01 -0.01 -0.04 7.75 7.73 2bpa11 HIS 388 H -0.29 0.09 -0.28 -0.55 8.41 7.38 2bpa11 HIS 388 HA -0.02 0.10 0.51 -0.75 4.63 4.46 2bpa11 HIS 388 HB2 -0.10 0.05 0.00 -0.04 3.26 3.17 2bpa11 HIS 388 HB3 -0.05 0.03 0.08 -0.04 3.20 3.22 2bpa11 HIS 388 HD2 -0.33 -0.01 0.03 -0.04 6.97 6.61 2bpa11 HIS 388 HE1 0.04 0.02 -0.01 -0.04 7.75 7.76 2bpa11 ASP 389 H 0.05 0.52 -0.21 -0.55 8.40 8.21 2bpa11 ASP 389 HA -0.06 0.03 0.41 -0.75 4.63 4.26 2bpa11 ASP 389 HB2 -0.38 0.11 0.06 -0.04 2.71 2.46 2bpa11 ASP 389 HB3 -0.27 -0.01 0.17 -0.04 2.70 2.54 2bpa11 TYR 390 H 0.20 0.28 -0.74 -0.55 8.29 7.47 2bpa11 TYR 390 HA 0.07 0.25 0.81 -0.75 4.56 4.94 2bpa11 TYR 390 HB2 0.36 0.08 0.06 -0.04 3.06 3.51 2bpa11 TYR 390 HB3 0.41 -0.01 0.09 -0.04 2.98 3.43 2bpa11 TYR 390 HD2 0.13 -0.04 -0.04 -0.04 7.15 7.15 2bpa11 TYR 390 HE2 0.21 0.09 -0.14 -0.04 6.85 6.96 2bpa11 ASP 391 H 0.17 0.47 0.03 -0.55 8.40 8.52 2bpa11 ASP 391 HA 0.28 0.05 0.46 -0.75 4.63 4.66 2bpa11 ASP 391 HB2 0.13 0.11 0.20 -0.04 2.71 3.11 2bpa11 ASP 391 HB3 0.13 -0.00 0.00 -0.04 2.70 2.78 2bpa11 GLN 392 H 0.05 0.17 -0.19 -0.55 8.47 7.95 2bpa11 GLN 392 HA 0.03 0.13 0.45 -0.75 4.36 4.22 2bpa11 GLN 392 HB2 -0.00 0.09 0.02 -0.04 2.15 2.22 2bpa11 GLN 392 HB3 -0.00 -0.01 0.16 -0.04 2.02 2.12 2bpa11 GLN 392 HG2 0.04 -0.11 0.02 -0.04 2.40 2.31 2bpa11 GLN 392 HG3 0.01 0.03 0.02 -0.04 2.39 2.41 2bpa11 GLN 392 HE21 0.01 -0.02 0.00 -0.04 6.97 6.92 2bpa11 GLN 392 HE22 0.00 0.02 0.01 -0.04 7.69 7.69 2bpa11 CYS 393 H -0.05 0.38 -0.82 -0.55 8.50 7.46 2bpa11 CYS 393 HA -0.26 -0.14 0.69 -0.75 4.58 4.13 2bpa11 CYS 393 HB2 -0.24 -0.03 -0.09 -0.04 2.97 2.57 2bpa11 CYS 393 HB3 -0.95 0.20 0.09 -0.04 2.97 2.26 2bpa11 PHE 394 H 0.05 0.24 0.06 -0.55 8.34 8.14 2bpa11 PHE 394 HA 0.02 0.11 1.05 -0.75 4.62 5.04 2bpa11 PHE 394 HB2 0.05 -0.00 -0.02 -0.04 3.15 3.13 2bpa11 PHE 394 HB3 0.04 0.08 -0.00 -0.04 3.06 3.14 2bpa11 PHE 394 HD2 0.09 0.14 -0.06 -0.04 7.28 7.42 2bpa11 PHE 394 HE2 0.24 -0.06 -0.01 -0.04 7.38 7.50 2bpa11 PHE 394 HZ 0.38 -0.05 -0.02 -0.04 7.32 7.59 2bpa11 GLN 395 H 0.18 1.09 0.26 -0.55 8.47 9.46 2bpa11 GLN 395 HA 0.06 -0.02 0.45 -0.75 4.36 4.10 2bpa11 GLN 395 HB2 0.07 0.01 0.05 -0.04 2.15 2.24 2bpa11 GLN 395 HB3 0.04 -0.06 -0.00 -0.04 2.02 1.96 2bpa11 GLN 395 HG2 0.03 -0.03 -0.12 -0.04 2.40 2.23 2bpa11 GLN 395 HG3 0.05 0.13 -0.40 -0.04 2.39 2.13 2bpa11 GLN 395 HE21 0.01 -0.10 -0.09 -0.04 6.97 6.75 2bpa11 GLN 395 HE22 0.02 0.38 -0.37 -0.04 7.69 7.69 2bpa11 SER 396 H 0.05 0.07 0.13 -0.55 8.46 8.16 2bpa11 SER 396 HA 0.05 0.14 0.63 -0.75 4.49 4.56 2bpa11 SER 396 HB2 0.05 0.05 0.08 -0.04 3.95 4.08 2bpa11 SER 396 HB3 0.03 -0.06 0.16 -0.04 3.93 4.02 2bpa11 VAL 397 H -0.00 0.33 0.20 -0.55 8.24 8.22 2bpa11 VAL 397 HA -0.00 0.12 0.80 -0.75 4.13 4.30 2bpa11 VAL 397 HB -0.01 -0.14 0.03 -0.04 2.12 1.95 2bpa11 VAL 397 HG13 0.02 0.02 -0.39 -0.04 0.97 0.58 2bpa11 VAL 397 HG23 -0.05 0.01 -0.15 -0.04 0.95 0.72 2bpa11 GLN 398 H -0.01 0.15 0.12 -0.55 8.47 8.18 2bpa11 GLN 398 HA -0.02 0.10 0.42 -0.75 4.36 4.10 2bpa11 GLN 398 HB2 -0.01 0.00 0.09 -0.04 2.15 2.20 2bpa11 GLN 398 HB3 -0.01 0.00 0.07 -0.04 2.02 2.03 2bpa11 GLN 398 HG2 -0.02 0.04 -0.18 -0.04 2.40 2.20 2bpa11 GLN 398 HG3 -0.01 -0.01 0.10 -0.04 2.39 2.44 2bpa11 GLN 398 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.90 2bpa11 GLN 398 HE22 -0.01 0.02 -0.03 -0.04 7.69 7.63 2bpa11 LEU 399 H -0.05 0.06 -0.33 -0.55 8.37 7.50 2bpa11 LEU 399 HA -0.09 0.15 0.60 -0.75 4.35 4.25 2bpa11 LEU 399 HB2 -0.06 -0.01 -0.01 -0.04 1.64 1.53 2bpa11 LEU 399 HB3 -0.10 0.08 0.07 -0.04 1.64 1.65 2bpa11 LEU 399 HG -0.03 -0.12 -0.10 -0.04 1.64 1.36 2bpa11 LEU 399 HD13 0.01 0.01 -0.05 -0.04 0.93 0.85 2bpa11 LEU 399 HD23 -0.04 0.03 -0.10 -0.04 0.89 0.74 2bpa11 LEU 400 H -0.12 0.21 -0.58 -0.55 8.37 7.33 2bpa11 LEU 400 HA -0.20 -0.00 0.23 -0.75 4.35 3.62 2bpa11 LEU 400 HB2 -0.40 0.23 -0.03 -0.04 1.64 1.40 2bpa11 LEU 400 HB3 -0.41 -0.10 -0.00 -0.04 1.64 1.08 2bpa11 LEU 400 HG -0.15 -0.07 -0.28 -0.04 1.64 1.09 2bpa11 LEU 400 HD13 -0.13 -0.01 -0.28 -0.04 0.93 0.47 2bpa11 LEU 400 HD23 -0.20 -0.01 -0.03 -0.04 0.89 0.61 2bpa11 GLN 401 H -0.36 0.34 0.35 -0.55 8.47 8.25 2bpa11 GLN 401 HA -0.68 0.13 0.86 -0.75 4.36 3.91 2bpa11 GLN 401 HB2 -0.12 -0.01 0.11 -0.04 2.15 2.09 2bpa11 GLN 401 HB3 -0.50 0.01 0.09 -0.04 2.02 1.57 2bpa11 GLN 401 HG2 -0.24 0.10 -0.10 -0.04 2.40 2.13 2bpa11 GLN 401 HG3 -0.21 -0.07 0.03 -0.04 2.39 2.10 2bpa11 GLN 401 HE21 0.39 0.16 -0.04 -0.04 6.97 7.44 2bpa11 GLN 401 HE22 0.28 0.05 -0.14 -0.04 7.69 7.84 2bpa11 TRP 402 H -0.50 0.39 0.31 -0.55 7.97 7.63 2bpa11 TRP 402 HA -0.12 0.14 0.84 -0.75 4.62 4.73 2bpa11 TRP 402 HB2 -0.08 0.11 0.06 -0.04 3.23 3.28 2bpa11 TRP 402 HB3 -0.13 -0.03 -0.14 -0.04 3.23 2.89 2bpa11 TRP 402 HD1 -0.13 -0.06 -0.37 -0.04 7.22 6.61 2bpa11 TRP 402 HE1 -0.07 0.30 -0.04 -0.04 10.20 10.36 2bpa11 TRP 402 HE3 -0.03 0.12 -0.57 -0.04 7.59 7.07 2bpa11 TRP 402 HZ2 -0.01 0.12 -0.14 -0.04 7.44 7.36 2bpa11 TRP 402 HZ3 0.01 -0.06 -0.32 -0.04 7.13 6.72 2bpa11 TRP 402 HH2 0.01 0.02 -0.21 -0.04 7.19 6.98 2bpa11 ASN 403 H 0.27 0.74 0.31 -0.55 8.53 9.31 2bpa11 ASN 403 HA -0.11 0.19 0.84 -0.75 4.76 4.93 2bpa11 ASN 403 HB2 0.02 0.08 0.15 -0.04 2.88 3.10 2bpa11 ASN 403 HB3 -0.06 0.05 -0.11 -0.04 2.79 2.63 2bpa11 ASN 403 HD21 0.05 -0.01 -0.22 -0.04 7.03 6.82 2bpa11 ASN 403 HD22 0.02 0.00 -0.35 -0.04 7.74 7.37 2bpa11 SER 404 H 0.18 0.47 0.21 -0.55 8.46 8.77 2bpa11 SER 404 HA 0.18 0.29 0.93 -0.75 4.49 5.14 2bpa11 SER 404 HB2 0.38 -0.01 -0.19 -0.04 3.95 4.09 2bpa11 SER 404 HB3 0.39 -0.09 -0.10 -0.04 3.93 4.09 2bpa11 GLN 405 H 0.01 0.47 0.27 -0.55 8.47 8.67 2bpa11 GLN 405 HA -0.34 0.28 1.02 -0.75 4.36 4.56 2bpa11 GLN 405 HB2 -0.08 -0.07 0.23 -0.04 2.15 2.19 2bpa11 GLN 405 HB3 -0.32 0.02 0.16 -0.04 2.02 1.84 2bpa11 GLN 405 HG2 0.17 -0.03 -0.00 -0.04 2.40 2.50 2bpa11 GLN 405 HG3 0.20 0.06 0.02 -0.04 2.39 2.64 2bpa11 GLN 405 HE21 0.11 0.02 -0.30 -0.04 6.97 6.76 2bpa11 GLN 405 HE22 0.17 0.06 -0.15 -0.04 7.69 7.73 2bpa11 VAL 406 H -0.35 0.69 0.33 -0.55 8.24 8.36 2bpa11 VAL 406 HA -0.37 0.18 1.05 -0.75 4.13 4.23 2bpa11 VAL 406 HB -1.04 -0.01 -0.41 -0.04 2.12 0.61 2bpa11 VAL 406 HG13 -0.47 -0.02 -0.34 -0.04 0.97 0.10 2bpa11 VAL 406 HG23 -0.15 0.02 -0.19 -0.04 0.95 0.59 2bpa11 LYS 407 H -0.41 0.53 0.18 -0.55 8.42 8.17 2bpa11 LYS 407 HA -0.27 0.18 1.04 -0.75 4.32 4.51 2bpa11 LYS 407 HB2 -0.16 -0.01 0.04 -0.04 1.87 1.70 2bpa11 LYS 407 HB3 -0.18 0.05 0.22 -0.04 1.79 1.84 2bpa11 LYS 407 HG2 -0.11 -0.03 -0.24 -0.04 1.46 1.04 2bpa11 LYS 407 HG3 -0.11 0.08 -0.21 -0.04 1.46 1.18 2bpa11 LYS 407 HD2 -0.06 -0.01 -0.06 -0.04 1.69 1.52 2bpa11 LYS 407 HD3 -0.06 -0.01 -0.05 -0.04 1.68 1.51 2bpa11 LYS 407 HE2 -0.03 0.01 -0.14 -0.04 2.99 2.79 2bpa11 LYS 407 HE3 -0.01 -0.00 -0.12 -0.04 2.99 2.81 2bpa11 PHE 408 H -0.29 0.54 0.19 -0.55 8.34 8.22 2bpa11 PHE 408 HA -0.12 0.03 0.53 -0.75 4.62 4.31 2bpa11 PHE 408 HB2 -0.98 0.11 0.24 -0.04 3.15 2.48 2bpa11 PHE 408 HB3 -0.26 0.00 -0.07 -0.04 3.06 2.69 2bpa11 PHE 408 HD2 -0.18 0.07 -0.20 -0.04 7.28 6.93 2bpa11 PHE 408 HE2 0.07 0.00 -0.15 -0.04 7.38 7.25 2bpa11 PHE 408 HZ 0.09 0.01 -0.25 -0.04 7.32 7.13 2bpa11 ASN 409 H -0.03 0.81 0.22 -0.55 8.53 8.99 2bpa11 ASN 409 HA -0.03 0.03 0.71 -0.75 4.76 4.72 2bpa11 ASN 409 HB2 -0.05 0.04 0.30 -0.04 2.88 3.13 2bpa11 ASN 409 HB3 -0.05 -0.04 0.03 -0.04 2.79 2.70 2bpa11 ASN 409 HD21 -0.09 -0.06 0.02 -0.04 7.03 6.86 2bpa11 ASN 409 HD22 -0.07 0.29 0.19 -0.04 7.74 8.10 2bpa11 VAL 410 H -0.01 0.18 0.10 -0.55 8.24 7.96 2bpa11 VAL 410 HA -0.18 0.33 1.04 -0.75 4.13 4.56 2bpa11 VAL 410 HB -0.16 0.04 -0.05 -0.04 2.12 1.90 2bpa11 VAL 410 HG13 0.14 0.00 -0.40 -0.04 0.97 0.67 2bpa11 VAL 410 HG23 -0.10 -0.02 -0.23 -0.04 0.95 0.56 2bpa11 THR 411 H -0.25 0.63 0.27 -0.55 8.28 8.38 2bpa11 THR 411 HA -0.15 0.22 1.15 -0.75 4.39 4.86 2bpa11 THR 411 HB -0.16 -0.03 0.03 -0.04 4.32 4.13 2bpa11 THR 411 HG23 -0.69 -0.02 -0.26 -0.04 1.22 0.22 2bpa11 VAL 412 H -0.11 0.74 0.41 -0.55 8.24 8.73 2bpa11 VAL 412 HA -0.00 0.36 1.08 -0.75 4.13 4.82 2bpa11 VAL 412 HB -0.00 -0.02 0.14 -0.04 2.12 2.19 2bpa11 VAL 412 HG13 0.05 0.01 -0.16 -0.04 0.97 0.83 2bpa11 VAL 412 HG23 0.10 0.00 -0.19 -0.04 0.95 0.82 2bpa11 TYR 413 H 0.21 0.73 0.26 -0.55 8.29 8.94 2bpa11 TYR 413 HA 0.10 0.18 0.62 -0.75 4.56 4.69 2bpa11 TYR 413 HB2 0.05 -0.05 0.21 -0.04 3.06 3.22 2bpa11 TYR 413 HB3 0.05 0.04 -0.03 -0.04 2.98 3.01 2bpa11 TYR 413 HD2 0.04 0.05 -0.13 -0.04 7.15 7.07 2bpa11 TYR 413 HE2 0.01 0.01 -0.08 -0.04 6.85 6.74 2bpa11 ARG 414 H 0.03 0.41 0.15 -0.55 8.46 8.51 2bpa11 ARG 414 HA -0.01 0.22 0.95 -0.75 4.34 4.73 2bpa11 ARG 414 HB2 -0.15 -0.05 0.04 -0.04 1.90 1.70 2bpa11 ARG 414 HB3 -0.17 -0.03 -0.09 -0.04 1.80 1.46 2bpa11 ARG 414 HG2 -1.50 0.05 -0.01 -0.04 1.67 0.17 2bpa11 ARG 414 HG3 -0.63 -0.03 -0.19 -0.04 1.67 0.78 2bpa11 ARG 414 HD2 -0.37 0.02 -0.04 -0.04 3.22 2.78 2bpa11 ARG 414 HD3 -0.20 0.01 -0.08 -0.04 3.22 2.91 2bpa11 ASN 415 H -0.03 0.19 -0.02 -0.55 8.53 8.12 2bpa11 ASN 415 HA 0.08 0.18 0.59 -0.75 4.76 4.85 2bpa11 ASN 415 HB2 0.06 -0.02 -0.14 -0.04 2.88 2.73 2bpa11 ASN 415 HB3 0.03 0.05 0.07 -0.04 2.79 2.90 2bpa11 ASN 415 HD21 0.04 0.23 0.03 -0.04 7.03 7.30 2bpa11 ASN 415 HD22 0.05 -0.06 -0.01 -0.04 7.74 7.68 2bpa11 LEU 416 H 0.12 0.28 -0.04 -0.55 8.37 8.18 2bpa11 LEU 416 HA 0.05 0.13 0.55 -0.75 4.35 4.33 2bpa11 LEU 416 HB2 0.04 0.05 0.09 -0.04 1.64 1.78 2bpa11 LEU 416 HB3 -0.00 -0.11 -0.38 -0.04 1.64 1.11 2bpa11 LEU 416 HG 0.07 0.07 -0.03 -0.04 1.64 1.71 2bpa11 LEU 416 HD13 0.00 -0.02 -0.06 -0.04 0.93 0.81 2bpa11 LEU 416 HD23 0.12 -0.02 -0.09 -0.04 0.89 0.86 2bpa11 PRO 417 HA 0.05 -0.01 0.56 -0.51 4.44 4.53 2bpa11 PRO 417 HB2 0.03 -0.06 0.07 -0.04 2.28 2.28 2bpa11 PRO 417 HB3 0.03 0.14 0.16 -0.04 2.02 2.31 2bpa11 PRO 417 HG2 0.04 0.01 -0.01 -0.04 2.03 2.03 2bpa11 PRO 417 HG3 0.03 0.13 0.03 -0.04 2.03 2.18 2bpa11 PRO 417 HD2 0.05 0.08 0.18 -0.04 3.68 3.95 2bpa11 PRO 417 HD3 0.04 0.20 0.08 -0.04 3.65 3.93 2bpa11 THR 418 H 0.03 0.07 0.23 -0.55 8.28 8.06 2bpa11 THR 418 HA 0.01 0.16 0.51 -0.75 4.39 4.31 2bpa11 THR 418 HB 0.02 0.08 0.23 -0.04 4.32 4.60 2bpa11 THR 418 HG23 0.01 -0.15 0.04 -0.04 1.22 1.07 2bpa11 THR 419 H 0.00 0.21 0.19 -0.55 8.28 8.14 2bpa11 THR 419 HA 0.02 0.16 0.33 -0.75 4.39 4.15 2bpa11 THR 419 HB 0.00 -0.03 0.08 -0.04 4.32 4.33 2bpa11 THR 419 HG23 0.01 0.01 0.02 -0.04 1.22 1.22 2bpa11 ARG 420 H 0.01 -0.09 -0.77 -0.55 8.46 7.06 2bpa11 ARG 420 HA 0.01 0.17 1.05 -0.75 4.34 4.81 2bpa11 ARG 420 HB2 0.00 0.08 0.01 -0.04 1.90 1.95 2bpa11 ARG 420 HB3 0.00 -0.04 -0.12 -0.04 1.80 1.60 2bpa11 ARG 420 HG2 0.00 -0.06 -0.08 -0.04 1.67 1.50 2bpa11 ARG 420 HG3 0.01 0.06 -0.52 -0.04 1.67 1.18 2bpa11 ARG 420 HD2 0.00 0.02 -0.04 -0.04 3.22 3.15 2bpa11 ARG 420 HD3 0.00 0.01 -0.05 -0.04 3.22 3.15 2bpa11 ASP 421 H 0.01 0.07 -0.00 -0.55 8.40 7.93 2bpa11 ASP 421 HA 0.01 0.08 0.42 -0.75 4.63 4.39 2bpa11 ASP 421 HB2 0.02 0.12 0.18 -0.04 2.71 2.99 2bpa11 ASP 421 HB3 0.02 0.13 0.02 -0.04 2.70 2.82 2bpa11 SER 422 H 0.02 0.25 -0.22 -0.55 8.46 7.96 2bpa11 SER 422 HA 0.02 0.10 0.30 -0.75 4.49 4.15 2bpa11 SER 422 HB2 0.02 -0.06 -0.07 -0.04 3.95 3.81 2bpa11 SER 422 HB3 0.02 0.01 -0.13 -0.04 3.93 3.80 2bpa11 ILE 423 H 0.01 0.00 -0.33 -0.55 8.25 7.38 2bpa11 ILE 423 HA 0.01 0.24 0.84 -0.75 4.18 4.52 2bpa11 ILE 423 HB 0.01 -0.05 0.16 -0.04 1.89 1.97 2bpa11 ILE 423 HG12 0.01 0.13 0.30 -0.04 1.49 1.88 2bpa11 ILE 423 HG13 0.01 0.03 -0.06 -0.04 1.21 1.14 2bpa11 ILE 423 HG23 0.01 0.03 0.00 -0.04 0.93 0.93 2bpa11 ILE 423 HD13 0.01 -0.03 0.01 -0.04 0.88 0.83 2bpa11 MET 424 H 0.01 0.36 -0.42 -0.55 8.47 7.87 2bpa11 MET 424 HA 0.01 0.04 0.80 -0.75 4.52 4.61 2bpa11 MET 424 HB2 0.01 0.32 0.15 -0.04 2.15 2.58 2bpa11 MET 424 HB3 0.01 -0.06 0.06 -0.04 2.03 1.99 2bpa11 MET 424 HG2 0.00 -0.00 0.00 -0.04 2.63 2.59 2bpa11 MET 424 HG3 0.00 -0.18 0.03 -0.04 2.56 2.37 2bpa11 MET 424 HE3 0.00 -0.01 0.01 -0.04 2.10 2.07 2bpa11 THR 425 H 0.00 0.13 0.13 -0.55 8.28 8.00 2bpa11 THR 425 HA 0.00 0.15 0.35 -0.75 4.39 4.14 2bpa11 THR 425 HB 0.00 -0.09 0.09 -0.04 4.32 4.28 2bpa11 THR 425 HG23 0.00 0.01 -0.06 -0.04 1.22 1.13 2bpa11 SER 426 H 0.00 -0.03 -0.22 -0.55 8.46 7.66 2bpa11 SER 426 HA 0.00 0.29 0.60 -0.75 4.49 4.63 2bpa11 SER 426 HB2 0.00 -0.05 0.02 -0.04 3.95 3.88 2bpa11 SER 426 HB3 0.00 -0.00 0.05 -0.04 3.93 3.94